Wjp5US8CP4
Basic information
- CAS
180424-04-8- Standard SMILES
COC(=O)[C@H](C)CNCc1ccccc1- InChIKey
AMFQVMBTZNGVDU-SNVBAGLBSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Wjp5US8CP4
- IUPAC
- methyl (2R)-3-(benzylamino)-2-methylpropanoate
Names & synonyms
180424-04-8WJP5US8CP4SCHEMBL23102214MFCD28004355SY565888Methyl (R)-3-(Benzylamino)-2-methylpropanoateMethyl 3-(benzylamino)-2-methylpropanoate, (R)-Propanoic acid, 2-methyl-3-[(phenylmethyl)amino]-, methyl ester, (R)-
Database identifiers
- CAS
180424-04-8- PubChem CID
- 6933017
- UNII
- WJP5US8CP4
- Nikkaji
- J3.499.227D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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