3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid

C13H17N3O4 — CID 104833568

IUPAC3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESNC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1
InChIInChI=1S/C13H17N3O4/c14-8-3-2-6-16(7-8)13(20)15-10-5-1-4-9(11(10)17)12(18)19/h1,4-5,8,17H,2-3,6-7,14H2,(H,15,20)(H,18,19)
InChIKeyBWYFXSXOMORZCT-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.05
Rot. Bonds2

About 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid

3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 104833568) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID104833568
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESNC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1
InChIInChI=1S/C13H17N3O4/c14-8-3-2-6-16(7-8)13(20)15-10-5-1-4-9(11(10)17)12(18)19/h1,4-5,8,17H,2-3,6-7,14H2,(H,15,20)(H,18,19)
InChIKeyBWYFXSXOMORZCT-UHFFFAOYSA-N
XLogP1.05
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.05
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

2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 104833768
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid (CID 104833568) is 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid is NC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1.
What is the InChIKey of 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is BWYFXSXOMORZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-8-3-2-6-16(7-8)13(20)15-10-5-1-4-9(11(10)17)12(18)19/h1,4-5,8,17H,2-3,6-7,14H2,(H,15,20)(H,18,19).
What are the key properties of 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 279.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).