3-oxo-3-(2-phenylanilino)propanoic acid

C15H13NO3 — CID 62230897

IUPAC3-oxo-3-(2-phenylanilino)propanoic acid
SMILESO=C(O)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(10-15(18)19)16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyUSSGLHZFMXEIRH-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.77
Rot. Bonds4

About 3-oxo-3-(2-phenylanilino)propanoic acid

3-oxo-3-(2-phenylanilino)propanoic acid (PubChem CID 62230897) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-oxo-3-(2-phenylanilino)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(2-phenylanilino)propanoic acid
PubChem CID62230897
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-oxo-3-(2-phenylanilino)propanoic acid
SMILESO=C(O)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C15H13NO3/c17-14(10-15(18)19)16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyUSSGLHZFMXEIRH-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-3-(2-phenylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
2-(2-chlorophenyl)-N-(2-phenylphenyl)acetamide
CID 26727185
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
2-(benzhydrylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 68964079
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-phenylanilino)propanoic acid?
The IUPAC name of 3-oxo-3-(2-phenylanilino)propanoic acid (CID 62230897) is 3-oxo-3-(2-phenylanilino)propanoic acid.
What is the SMILES notation for 3-oxo-3-(2-phenylanilino)propanoic acid?
The canonical SMILES for 3-oxo-3-(2-phenylanilino)propanoic acid is O=C(O)CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-oxo-3-(2-phenylanilino)propanoic acid?
The InChIKey is USSGLHZFMXEIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(10-15(18)19)16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 3-oxo-3-(2-phenylanilino)propanoic acid?
3-oxo-3-(2-phenylanilino)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-phenylanilino)propanoic acid is sourced from PubChem (CID 62230897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).