2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid

C16H15NO4 — CID 10334118

IUPAC2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
InChIKeyDLFOKZQWYFNKCL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid

2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid (PubChem CID 10334118) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
PubChem CID10334118
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
InChIKeyDLFOKZQWYFNKCL-UHFFFAOYSA-N
XLogP2.66
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol;2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 175729912
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
2-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propanoylamino]benzoic acid
CID 11610260
2-[3-[3,4-bis(difluoromethoxy)phenyl]propanoylamino]benzoic acid
CID 135191375
4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid (CID 10334118) is 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid is O=C(CCc1ccc(O)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid?
The InChIKey is DLFOKZQWYFNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid?
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid is sourced from PubChem (CID 10334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).