(s)-2-[(Azepane-1-carbonyl)-amino]-propanoic acid
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Basic information
- Standard SMILES
C[C@H](NC(=O)N1CCCCCC1)C(=O)O- InChIKey
BFURXQDDWKKNND-QMMMGPOBSA-N- Molecular formula
- C10H18N2O3
- Average molar mass
- 214.26 g/mol
Names & identifiers
- Preferred name
- (s)-2-[(Azepane-1-carbonyl)-amino]-propanoic acid
- IUPAC
- (2S)-2-(azepane-1-carbonylamino)propanoic acid
Names & synonyms
SCHEMBL7336005BFURXQDDWKKNND-QMMMGPOBSA-NAKOS010436533(s)-2-[(azepane-1-carbonyl)-amino]-propanoic acid
Database identifiers
- PubChem CID
- 12968581
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
2 records
Compound notes
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