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Basic information
- Standard SMILES
COC(=O)CCN1CCCC[C@H](N)C1=O- InChIKey
ZRHVUGWVKWUPFN-QMMMGPOBSA-N- Molecular formula
- C10H18N2O3
- Average molar mass
- 214.26 g/mol
Names & identifiers
- Preferred name
- (S)-methyl 3-(3-amino-2-oxoazepan-1-yl)propanoate
- IUPAC
- methyl 3-[(3S)-3-amino-2-oxoazepan-1-yl]propanoate
Names & synonyms
SCHEMBL12525641ZRHVUGWVKWUPFN-QMMMGPOBSA-N(S)-methyl 3-(3-amino-2-oxoazepan-1-yl)propanoate
Database identifiers
- PubChem CID
- 68309766
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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