(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid

C11H14N2O3 — CID 71355606

IUPAC(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(10(14)15)13(2)11(16)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyJUQVGYOEQHEBQU-QMMMGPOBSA-N
MW222.24 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid

(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid (PubChem CID 71355606) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
PubChem CID71355606
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(10(14)15)13(2)11(16)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyJUQVGYOEQHEBQU-QMMMGPOBSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
CID 62637000
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637949
2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62637175
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 107576330
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248
1-chloro-1-methyl-3-phenylurea
CID 173170547
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid (CID 71355606) is (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid?
The InChIKey is JUQVGYOEQHEBQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(10(14)15)13(2)11(16)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid?
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 71355606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).