Basic information
- CAS
911207-25-5- Standard SMILES
CCOC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
KLOKSRAWLQVZFV-YIYPIFLZSA-N- Molecular formula
- C16H29NO3
- Average molar mass
- 283.41 g/mol
- Monoisotopic mass
- 283.21474379
Names & identifiers
- Preferred name
- N-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-D-alanine ethyl ester
- IUPAC
- ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
Names & synonyms
N-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-D-alanine ethyl ester911207-25-56WR7Y76KKFSCHEMBL722922CPS-369DTXSID001357412Ethyl ((1R,5R)-2-isopropyl-5-methylcyclohexane-1-carbonyl)-D-alaninateD-Alanine, N-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]carbonyl]-, ethyl ester
Database identifiers
- CAS
911207-25-5- PubChem CID
- 11623347
- DTXSID
DTXSID001357412- UNII
- 6WR7Y76KKF
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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