Methyl 2-carbamoyl-3-phenylpropionate
Basic information
- CAS
57355-27-8- Standard SMILES
COC(=O)C(Cc1ccccc1)C(N)=O- InChIKey
MBGQTVLDUWAMMN-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- Methyl 2-carbamoyl-3-phenylpropionate
- IUPAC
- methyl 3-amino-2-benzyl-3-oxopropanoate
- English name
- methyl 2-carbamoyl-3-phenylpropionate
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
Methyl 2-carbamoyl-3-phenylpropionate57355-27-8methyl 3-amino-2-benzyl-3-oxopropanoateEINECS 260-691-1SCHEMBL3139415DTXSID40972858MBGQTVLDUWAMMN-UHFFFAOYSA-NAKOS0243259072-Benzyl-3-methoxy-3-oxopropanimidic acidDB-319872NS00053110METHYL 2-BENZYLMALONAMATE
Show more names
α-Carbamoylbenzenepropanoic acid methyl esterα-Aminocarbonylbenzenepropionic acid methyl esterBenzenepropanoic acid, α-(aminocarbonyl)-, methyl ester
Database identifiers
- CAS
57355-27-8- PubChem CID
- 93642
- DTXSID
DTXSID40972858- EC Number
- 260-691-1
- Nikkaji
- J308.885E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 388 · 388.0±35.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 14.23 · 14.23±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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