((S)-4,5-Diamino-pentyl)-carbamic acid benzyl ester
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Basic information
- Standard SMILES
NC[C@@H](N)CCCNC(=O)OCc1ccccc1- InChIKey
PDAKZXYYLRSAQA-LBPRGKRZSA-N- Molecular formula
- C13H21N3O2
- Average molar mass
- 251.32 g/mol
Names & identifiers
- Preferred name
- ((S)-4,5-Diamino-pentyl)-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(4S)-4,5-diaminopentyl]carbamate
Names & synonyms
SCHEMBL1586589PDAKZXYYLRSAQA-LBPRGKRZSA-N((S)-4,5-Diamino-pentyl)-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 56587740
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 230
Related reactions
6 records
Compound notes
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