ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate

C13H18N2O3 — CID 102002334

IUPACethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-4-18-12(16)10(2)15(3)13(17)14-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyJEAUWKIYWIAHQT-SNVBAGLBSA-N
MW250.30 g/mol
LogP2.10
Rot. Bonds4

About ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate

ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate (PubChem CID 102002334) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
PubChem CID102002334
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-4-18-12(16)10(2)15(3)13(17)14-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,17)/t10-/m1/s1
InChIKeyJEAUWKIYWIAHQT-SNVBAGLBSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate 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-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
1-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-1-methyl-3-phenylurea
CID 63224229
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
CID 62028333
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
ethyl 3-anilino-3-oxopropanoate
CID 3016808
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637949
1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
CID 12876113
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate?
The IUPAC name of ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate (CID 102002334) is ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate is CCOC(=O)[C@@H](C)N(C)C(=O)Nc1ccccc1.
What is the InChIKey of ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate?
The InChIKey is JEAUWKIYWIAHQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-12(16)10(2)15(3)13(17)14-11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,17)/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate?
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate has a molecular weight of 250.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate is sourced from PubChem (CID 102002334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).