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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCOS(C)(=O)=O)c1ccc(Cl)cc1- InChIKey
ZLAGMAQWXPRQAP-ZDUSSCGKSA-N- Molecular formula
- C15H22ClNO5S
- Average molar mass
- 363.9 g/mol
Names & identifiers
- Preferred name
- (S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propyl methanesulfonate
- IUPAC
- [(3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
Names & synonyms
SCHEMBL391356ZLAGMAQWXPRQAP-ZDUSSCGKSA-N(S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propyl methanesulfonate
Database identifiers
- PubChem CID
- 57750320
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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