Basic information
- CAS
130056-60-9- Standard SMILES
O=C(O)CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O- InChIKey
ZYJOGMKYRKMTQO-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- DL-Aspartic acid, N-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)-
- IUPAC
- 2-(adamantane-1-carbonylamino)butanedioic acid
Names & synonyms
130056-60-9DL-Aspartic acid, N-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)-RefChem:1083894N-Adamantanoyl-DL-aspartic acidN-(Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)-DL-aspartic acidAKOS008039167Z85898776
Database identifiers
- CAS
130056-60-9- PubChem CID
- 64618
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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