Basic information
- CAS
115545-60-3- Standard SMILES
N[C@H](CC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O- InChIKey
WXDSZIVHWONVQR-WQJBQHQGSA-N- Molecular formula
- C14H21NO4
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.14705815
Overview
useful as a protecting group for protein synthesis; structure given in first source
Names & identifiers
- Preferred name
- 2-Adamantylaspartate
- IUPAC
- (2R)-4-(2-adamantyloxy)-2-amino-4-oxobutanoic acid
- English name
- 2-adamantylaspartate
- Molecular formula
- C14H21NO4
- Molecular weight
- 267.32
Names & synonyms
2-AdamantylaspartateH-Asp(O-2-ada)-OH115545-60-3beta-2-Adamantylaspartic acidRefChem:85018(2R)-4-(2-adamantyloxy)-2-amino-4-oxobutanoic acidL-Aspartic acid, 4-tricyclo(3.3.13,7)dec-2-yl esterL-Aspartic acid, 4-tricyclo[3.3.1.13,7]dec-2-yl ester
Database identifiers
- CAS
115545-60-3- PubChem CID
- 64586
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…