3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid

C13H16N2O3 — CID 104913517

IUPAC3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H16N2O3/c16-12(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)13(17)18/h3-5,8,11,14H,1-2,6-7H2,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQZVAQGDWUWVKLB-LLVKDONJSA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds3

About 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid

3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid (PubChem CID 104913517) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
PubChem CID104913517
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H16N2O3/c16-12(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)13(17)18/h3-5,8,11,14H,1-2,6-7H2,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQZVAQGDWUWVKLB-LLVKDONJSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid (CID 104913517) is 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
The InChIKey is QZVAQGDWUWVKLB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)13(17)18/h3-5,8,11,14H,1-2,6-7H2,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid?
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 104913517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).