2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid

C20H22N2O4 — CID 120528817

IUPAC2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCC(C)NC(=O)c1ccc(C(=O)NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(2)22-19(24)16-10-8-15(9-11-16)18(23)21-12-17(20(25)26)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyHCMRMKIUECMREE-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds7

About 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid

2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid (PubChem CID 120528817) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
PubChem CID120528817
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCC(C)NC(=O)c1ccc(C(=O)NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-13(2)22-19(24)16-10-8-15(9-11-16)18(23)21-12-17(20(25)26)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyHCMRMKIUECMREE-UHFFFAOYSA-N
XLogP2.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]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

3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
2-[(2-methoxyphenyl)methyl]-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120533112
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid (CID 120528817) is 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid is CC(C)NC(=O)c1ccc(C(=O)NCC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
The InChIKey is HCMRMKIUECMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)22-19(24)16-10-8-15(9-11-16)18(23)21-12-17(20(25)26)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid?
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 120528817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).