(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate

C18H18N3O4- — CID 7623387

IUPAC(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
SMILESCC(=O)Nc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-14-8-5-9-15(11-14)20-18(25)21-16(17(23)24)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,19,22)(H,23,24)(H2,20,21,25)/p-1/t16-/m0/s1
InChIKeyNPUFAGAFZBAPKQ-INIZCTEOSA-M
MW340.36 g/mol
LogP1.13
Rot. Bonds6

About (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate

(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 7623387) has the molecular formula C18H18N3O4- and a molecular weight of 340.36 g/mol. Its IUPAC name is (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID7623387
Molecular FormulaC18H18N3O4-
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
SMILESCC(=O)Nc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-14-8-5-9-15(11-14)20-18(25)21-16(17(23)24)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,19,22)(H,23,24)(H2,20,21,25)/p-1/t16-/m0/s1
InChIKeyNPUFAGAFZBAPKQ-INIZCTEOSA-M
XLogP1.13
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate 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

(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 941056
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 7602326
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
3-[(1-carboxy-2-phenylethyl)carbamoylamino]benzoic acid
CID 3763107
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoate
CID 7582097
(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 2027501
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoate
CID 2016663
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate (CID 7623387) is (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate is CC(=O)Nc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1.
What is the InChIKey of (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is NPUFAGAFZBAPKQ-INIZCTEOSA-M. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)19-14-8-5-9-15(11-14)20-18(25)21-16(17(23)24)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,19,22)(H,23,24)(H2,20,21,25)/p-1/t16-/m0/s1.
What are the key properties of (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate?
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 340.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 7623387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).