Basic information
- Standard SMILES
C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1- InChIKey
FKKGVQZYHXCJQT-BDAKNGLRSA-N- Molecular formula
- C12H22N2O3
- Average molar mass
- 242.31 g/mol
Names & identifiers
- Preferred name
- (3S-cis)-hexahydro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-methyl-2H-azepin-2-one
- IUPAC
- tert-butyl N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
Names & synonyms
SCHEMBL8837707FKKGVQZYHXCJQT-BDAKNGLRSA-N(3S-cis)-hexahydro-3-[[(1,1-dimethylethoxy) carbonyl]amino]-7-methyl-2H-azepin-2-one(3S-cis)-hexahydro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-methyl-2H-azepin-2-one
Database identifiers
- PubChem CID
- 14927375
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
7 records
Linked notes
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