((1S)-1-Methylcarbamoyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
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Basic information
- Standard SMILES
CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
IAIKAKWKWIJNAO-LBPRGKRZSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
Names & identifiers
- Preferred name
- ((1S)-1-Methylcarbamoyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL6163823IAIKAKWKWIJNAO-LBPRGKRZSA-NN-t-butoxycarbonyl-L-phenylalanine methylamide((1S)-1-Methylcarbamoyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 7201346
- Nikkaji
- J1.145.430E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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