(3S-cis)-hexahydro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-methyl-2H-azepin-2-one

HCID 14927375

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

Related reactions

7 records

Linked notes

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