2-[methyl(phenacyl)amino]-3-phenylpropanoic acid

C18H19NO3 — CID 23298527

IUPAC2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
SMILESCN(CC(=O)c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-19(13-17(20)15-10-6-3-7-11-15)16(18(21)22)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,21,22)
InChIKeyGZNWJSILPYBAMO-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.50
Rot. Bonds7

About 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid

2-[methyl(phenacyl)amino]-3-phenylpropanoic acid (PubChem CID 23298527) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
PubChem CID23298527
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
SMILESCN(CC(=O)c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-19(13-17(20)15-10-6-3-7-11-15)16(18(21)22)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,21,22)
InChIKeyGZNWJSILPYBAMO-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(phenacyl)amino]-3-phenylpropanoic 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

(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
CID 160513351
CID 160513351
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid (CID 23298527) is 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid is CN(CC(=O)c1ccccc1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid?
The InChIKey is GZNWJSILPYBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(13-17(20)15-10-6-3-7-11-15)16(18(21)22)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid?
2-[methyl(phenacyl)amino]-3-phenylpropanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenacyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 23298527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).