2-[[methyl(phenyl)carbamoyl]amino]propanoic acid

C11H14N2O3 — CID 61187226

IUPAC2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15)
InChIKeyVFWFDOWCYOUQLP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.31
Rot. Bonds3

About 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid

2-[[methyl(phenyl)carbamoyl]amino]propanoic acid (PubChem CID 61187226) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
PubChem CID61187226
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15)
InChIKeyVFWFDOWCYOUQLP-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[methyl(phenyl)carbamoyl]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

(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289
2-[2-(N-methylanilino)propanoylamino]propanoic acid
CID 82041910
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
1-methyl-3-nitroso-1-phenylurea
CID 21116436
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
(2S)-2-[[amino(benzyl)carbamoyl]amino]propanoic acid
CID 139928126
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid (CID 61187226) is 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid is CC(NC(=O)N(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid?
The InChIKey is VFWFDOWCYOUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(10(14)15)12-11(16)13(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid?
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(phenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).