Basic information
- Standard SMILES
COC(=O)C(CC(C(C)=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C- InChIKey
BPCRSXYCOAQZTO-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO5
- Average molar mass
- 369.8 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)-5-oxohexanoate
- IUPAC
- methyl 4-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
Names & synonyms
SCHEMBL3696010BPCRSXYCOAQZTO-UHFFFAOYSA-Nmethyl 2-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)-5-oxohexanoate
Database identifiers
- PubChem CID
- 68747752
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
11 records
Compound notes
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