4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid

C16H15NO4 — CID 66603612

IUPAC4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1c(C(=O)O)ccc(O)c1-c1ccccc1
InChIInChI=1S/C16H15NO4/c1-2-13(19)17-15-11(16(20)21)8-9-12(18)14(15)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyWRRPMNHSYSLPFT-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.11
Rot. Bonds4

About 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid

4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid (PubChem CID 66603612) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid
PubChem CID66603612
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1c(C(=O)O)ccc(O)c1-c1ccccc1
InChIInChI=1S/C16H15NO4/c1-2-13(19)17-15-11(16(20)21)8-9-12(18)14(15)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyWRRPMNHSYSLPFT-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid?
The IUPAC name of 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid (CID 66603612) is 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid?
The canonical SMILES for 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid is CCC(=O)Nc1c(C(=O)O)ccc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid?
The InChIKey is WRRPMNHSYSLPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-13(19)17-15-11(16(20)21)8-9-12(18)14(15)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid?
4-hydroxy-3-phenyl-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 4-hydroxy-3-phenyl-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 66603612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).