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

C13H16N2O4 — CID 107265228

IUPAC4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C13H16N2O4/c16-11-4-3-8(13(18)19)6-10(11)15-12(17)9-2-1-5-14-7-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyWUXYYUSXAZOKPI-SECBINFHSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds3

About 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid

4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid (PubChem CID 107265228) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
PubChem CID107265228
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)[C@@H]2CCCNC2)c1
InChIInChI=1S/C13H16N2O4/c16-11-4-3-8(13(18)19)6-10(11)15-12(17)9-2-1-5-14-7-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyWUXYYUSXAZOKPI-SECBINFHSA-N
XLogP1.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
methyl 4-chloro-3-[[(3R)-piperidine-3-carbonyl]amino]benzoate
CID 28807387
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-hydroxybenzoic acid
CID 107265247
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
3-[(2-aminocyclopentanecarbonyl)amino]-4-hydroxybenzoic acid
CID 107265105
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid (CID 107265228) is 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid is O=C(O)c1ccc(O)c(NC(=O)[C@@H]2CCCNC2)c1.
What is the InChIKey of 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid?
The InChIKey is WUXYYUSXAZOKPI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-4-3-8(13(18)19)6-10(11)15-12(17)9-2-1-5-14-7-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17)(H,18,19)/t9-/m1/s1.
What are the key properties of 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid?
4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 107265228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).