Methyl (S)-3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoate
Basic information
- Standard SMILES
COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1- InChIKey
RIHNYKFQUWABML-LBPRGKRZSA-N- Molecular formula
- C15H20ClNO4
- Average molar mass
- 313.77 g/mol
Names & identifiers
- Preferred name
- Methyl (S)-3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoate
- IUPAC
- methyl (3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
1143534-07-9Methyl (S)-3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoateSCHEMBL390390RIHNYKFQUWABML-LBPRGKRZSA-NMFCD32662426G68754Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid methyl ester(S)-methyl 3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoate(S)-methyl 3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoatemethyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoate
Database identifiers
- PubChem CID
- 57750406
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
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Related reactions
2 records
Compound notes
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