(1S,3R)-3-[(tert-butoxy)carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
Basic information
- CAS
219496-62-5- Standard SMILES
CC(C)(C)OC(=O)[C@]1(C)CC[C@H](C(=O)O)C1(C)C- InChIKey
BBWRIYPVWGWPSD-OTYXRUKQSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- (1S,3R)-3-[(tert-butoxy)carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
- IUPAC
- trans-(1S,3R)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
Names & synonyms
219496-62-5(1S,3R)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid(1S,3R)-3-[(tert-butoxy)carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acidSCHEMBL7099129(1S,3R)-3-[(tert-butoxy)carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylicacidEN300-26677379Z4442469305
Database identifiers
- CAS
219496-62-5- PubChem CID
- 53674040
- EC Number
- 875-932-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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