3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid

C16H15NO4 — CID 66603611

IUPAC3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1c(C(=O)O)cccc1-c1ccccc1O
InChIInChI=1S/C16H15NO4/c1-2-14(19)17-15-11(7-5-8-12(15)16(20)21)10-6-3-4-9-13(10)18/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyQFYOAMWKUZTPCG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.11
Rot. Bonds4

About 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid

3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid (PubChem CID 66603611) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid
PubChem CID66603611
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1c(C(=O)O)cccc1-c1ccccc1O
InChIInChI=1S/C16H15NO4/c1-2-14(19)17-15-11(7-5-8-12(15)16(20)21)10-6-3-4-9-13(10)18/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyQFYOAMWKUZTPCG-UHFFFAOYSA-N
XLogP3.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid
CID 66603612
2-(2-propanoylphenyl)benzoic acid
CID 15194783
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114
2-(bromoamino)-3-hydroxybenzoic acid
CID 88986875
2-(ethylamino)benzene-1,3-dicarboxylic acid
CID 141058126
3-(2,3-dihydroxyphenyl)-2-ethylbenzoic acid
CID 90117992
2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid
CID 84820712
N-(2,6-dibromophenyl)propanamide
CID 103863189
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride
CID 174336126
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid (CID 66603611) is 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid is CCC(=O)Nc1c(C(=O)O)cccc1-c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid?
The InChIKey is QFYOAMWKUZTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-14(19)17-15-11(7-5-8-12(15)16(20)21)10-6-3-4-9-13(10)18/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid?
3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 66603611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).