Basic information
- CAS
7244-67-9- Standard SMILES
COC(=O)C(C)NC(=O)c1ccccc1- InChIKey
QRDFLIILGVFYCF-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Overview
RN given refers to (L)-isomer; RN for cpd without isomeric designation not avail 12/89
Names & identifiers
- Preferred name
- N-Benzoylalanine methyl ester
- IUPAC
- methyl 2-benzamidopropanoate
Names & synonyms
N-Benzoylalanine methyl esterRefChem:927056methyl 2-benzamidopropanoate38767-73-6N-benzoyl-dl-alanine methyl estermethyl 2-(phenylformamido)propanoateBenzoyl-L-alanine methyl ester7260-27-7Alanine, N-benzoyl-, methyl esterMethyl N-benzoylalaninateN-Benzoyl-L-alanine methyl esterMFCD00066844
Show more names
Methyl N-benzoyl-L-alaninateSCHEMBL9943346DTXSID00274749DTXSID30993254QRDFLIILGVFYCF-UHFFFAOYSA-Nmethyl N-(phenylcarbonyl)alaninateALBB-034834SAM-3084
Database identifiers
- CAS
7244-67-9、7260-27-7- PubChem CID
- 23671
- DTXSID
DTXSID00274749- EC Number
- 230-649-7
- Nikkaji
- J1.400.828D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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