Showing chemical card for (R)-1-Methylpiperidine-2-carboxylic acid (CFc000222360)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:43:05 UTC

Chemfont ID

CFc000222360

Molecule Identification

Common Name

(R)-1-Methylpiperidine-2-carboxylic acid

Definition

(R)-1-Methylpiperidine-2-carboxylic acid belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. Based on a literature review a significant number of articles have been published on (R)-1-Methylpiperidine-2-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI

SMILES for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

CN1CCCC[C@@H]1C(O)=O

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INCHI for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

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Structure for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

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3D Structure for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

Synonyms

Value	Source
(R)-1-Methylpiperidine-2-carboxylate	Generator

Chemical Formula

C₇H₁₃NO₂

Average Molecular Weight

143.186

Monoisotopic Molecular Weight

143.094628663

IUPAC Name

(2R)-1-methylpiperidine-2-carboxylic acid

Traditional Name

(2R)-1-methylpiperidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CN1CCCC[C@@H]1C(O)=O

InChI Identifier

InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

InChI Key

BPSLZWSRHTULGU-ZCFIWIBFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

D-alpha-amino acids

Alternative Parents

Piperidinecarboxylic acids
Trialkylamines
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Azacyclic compounds
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds

Substituents

D-alpha-amino acid
Piperidinecarboxylic acid
Piperidine
Tertiary amine
Tertiary aliphatic amine
Amino acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid
Amine
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	414 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-2	ChemAxon
logS	0.46	ALOGPS
pKa (Strongest Acidic)	1.86	ChemAxon
pKa (Strongest Basic)	10.15	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	40.54 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	37.96 m³·mol⁻¹	ChemAxon
Polarizability	15.41 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0242107

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9461516

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11286529

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (R)-1-Methylpiperidine-2-carboxylic acid (CFc000222360)

MOL for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

3D MOL for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

3D SDF for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

3D-SDF for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

PDB for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

3D PDB for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

SMILES for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

INCHI for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

Structure for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)

3D Structure for CFc000222360 ((R)-1-Methylpiperidine-2-carboxylic acid)