2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid

C14H18N2O3 — CID 98566354

IUPAC2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-5-6-10(8-11(9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyAOXDWKYVFPJULF-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid

2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid (PubChem CID 98566354) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
PubChem CID98566354
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-5-6-10(8-11(9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyAOXDWKYVFPJULF-GFCCVEGCSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
CID 115296363
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
CID 64564014
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid (CID 98566354) is 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid is Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The InChIKey is AOXDWKYVFPJULF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-6-10(8-11(9)14(18)19)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 98566354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).