4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid

C14H18N2O4 — CID 64564014

IUPAC4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCCCN2)cc1O
InChIInChI=1S/C14H18N2O4/c17-12-8-9(5-6-10(12)14(19)20)16-13(18)11-4-2-1-3-7-15-11/h5-6,8,11,15,17H,1-4,7H2,(H,16,18)(H,19,20)
InChIKeyBZWSEBKWTONKHE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.56
Rot. Bonds3

About 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid

4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid (PubChem CID 64564014) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
PubChem CID64564014
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCCCN2)cc1O
InChIInChI=1S/C14H18N2O4/c17-12-8-9(5-6-10(12)14(19)20)16-13(18)11-4-2-1-3-7-15-11/h5-6,8,11,15,17H,1-4,7H2,(H,16,18)(H,19,20)
InChIKeyBZWSEBKWTONKHE-UHFFFAOYSA-N
XLogP1.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
CID 115296363
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid (CID 64564014) is 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)C2CCCCCN2)cc1O.
What is the InChIKey of 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid?
The InChIKey is BZWSEBKWTONKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-8-9(5-6-10(12)14(19)20)16-13(18)11-4-2-1-3-7-15-11/h5-6,8,11,15,17H,1-4,7H2,(H,16,18)(H,19,20).
What are the key properties of 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid?
4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 64564014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).