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

C18H19N2O3- — CID 7602326

IUPAC(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-2-14-10-6-7-11-15(14)19-18(23)20-16(17(21)22)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t16-/m0/s1
InChIKeyBDJXFZURGOANDT-INIZCTEOSA-M
MW311.36 g/mol
LogP1.73
Rot. Bonds6

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

(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate (PubChem CID 7602326) has the molecular formula C18H19N2O3- and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
PubChem CID7602326
Molecular FormulaC18H19N2O3-
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
SMILESCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-2-14-10-6-7-11-15(14)19-18(23)20-16(17(21)22)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t16-/m0/s1
InChIKeyBDJXFZURGOANDT-INIZCTEOSA-M
XLogP1.73
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-ethylphenyl)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)-3-phenyl-2-(propylcarbamoylamino)propanoate
CID 2016663
(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate
CID 7623387
(2S)-3-phenyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 2027501
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 6956485
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
CID 93100701
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
(2R)-2-[[4-(2-ethylanilino)-4-oxobutan-2-yl]amino]-3-phenylpropanoic acid
CID 122037925
(2R)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoate
CID 7092603
(2S)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 6992311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate?
The IUPAC name of (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate (CID 7602326) is (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate is CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate?
The InChIKey is BDJXFZURGOANDT-INIZCTEOSA-M. The full InChI is InChI=1S/C18H20N2O3/c1-2-14-10-6-7-11-15(14)19-18(23)20-16(17(21)22)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,21,22)(H2,19,20,23)/p-1/t16-/m0/s1.
What are the key properties of (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate?
(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate has a molecular weight of 311.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 7602326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).