3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid

C13H16N2O5 — CID 61435039

IUPAC3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC(O)C2)c(O)c1
InChIInChI=1S/C13H16N2O5/c16-9-2-1-5-15(7-9)13(20)14-10-4-3-8(12(18)19)6-11(10)17/h3-4,6,9,16-17H,1-2,5,7H2,(H,14,20)(H,18,19)
InChIKeyCQSOROICASAYDD-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.08
Rot. Bonds2

About 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid

3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61435039) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61435039
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC(O)C2)c(O)c1
InChIInChI=1S/C13H16N2O5/c16-9-2-1-5-15(7-9)13(20)14-10-4-3-8(12(18)19)6-11(10)17/h3-4,6,9,16-17H,1-2,5,7H2,(H,14,20)(H,18,19)
InChIKeyCQSOROICASAYDD-UHFFFAOYSA-N
XLogP1.08
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.08
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

4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
4-[(3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxybenzoic acid
CID 66062414
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 95330022
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
3-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223435
3-bromo-4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670643
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (CID 61435039) is 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)N2CCCC(O)C2)c(O)c1.
What is the InChIKey of 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is CQSOROICASAYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-9-2-1-5-15(7-9)13(20)14-10-4-3-8(12(18)19)6-11(10)17/h3-4,6,9,16-17H,1-2,5,7H2,(H,14,20)(H,18,19).
What are the key properties of 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61435039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).