3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid

C16H15NO4 — CID 60826360

IUPAC3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C16H15NO4/c18-14-10-12(16(20)21)7-8-13(14)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19)(H,20,21)
InChIKeyOPZLRRYOUYXTIA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.66
Rot. Bonds5

About 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid

3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid (PubChem CID 60826360) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
PubChem CID60826360
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C16H15NO4/c18-14-10-12(16(20)21)7-8-13(14)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19)(H,20,21)
InChIKeyOPZLRRYOUYXTIA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
3,4-bis(3-phenylpropanoylamino)benzoate
CID 6980736
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 107264616
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 17359487
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
3-hydroxy-4-(4-naphthalen-2-yloxybutanoylamino)benzoic acid
CID 108766557
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
N-(4-carbamothioyl-2-chlorophenyl)-3-phenylpropanamide
CID 107808479

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid?
The IUPAC name of 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid (CID 60826360) is 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid is O=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid?
The InChIKey is OPZLRRYOUYXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-10-12(16(20)21)7-8-13(14)17-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,18H,6,9H2,(H,17,19)(H,20,21).
What are the key properties of 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid?
3-hydroxy-4-(3-phenylpropanoylamino)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 3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid is sourced from PubChem (CID 60826360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).