2-[methyl(3-phenylpropanoyl)amino]propanoic acid

C13H17NO3 — CID 62626349

IUPAC2-[methyl(3-phenylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(13(16)17)14(2)12(15)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyUATILDRIFSJIDT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.55
Rot. Bonds5

About 2-[methyl(3-phenylpropanoyl)amino]propanoic acid

2-[methyl(3-phenylpropanoyl)amino]propanoic acid (PubChem CID 62626349) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[methyl(3-phenylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3-phenylpropanoyl)amino]propanoic acid
PubChem CID62626349
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[methyl(3-phenylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(13(16)17)14(2)12(15)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyUATILDRIFSJIDT-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(3-phenylpropanoyl)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

2-[methyl-[2-(2-phenylethylsulfanyl)acetyl]amino]propanoic acid
CID 62626571
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]propanoic acid
CID 119209215
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 62627453
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
(2S)-2-[methyl(3-phenylpropanoyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 170680665

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3-phenylpropanoyl)amino]propanoic acid (CID 62626349) is 2-[methyl(3-phenylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3-phenylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3-phenylpropanoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[methyl(3-phenylpropanoyl)amino]propanoic acid?
The InChIKey is UATILDRIFSJIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(13(16)17)14(2)12(15)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(3-phenylpropanoyl)amino]propanoic acid?
2-[methyl(3-phenylpropanoyl)amino]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 62626349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).