Basic information
- CAS
6317-41-5- Standard SMILES
COC(=O)CCC(=O)C(N)C(=O)OC- InChIKey
VTLRWWOCHQTVLL-UHFFFAOYSA-N- Molecular formula
- C8H13NO5
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.07937252
Names & identifiers
- Preferred name
- Dimethyl 2-amino-3-oxoadipate hydrochloride
- IUPAC
- dimethyl 2-amino-3-oxohexanedioate
Names & synonyms
Dimethyl 2-amino-3-oxoadipate hydrochlorideDimethyl 2-amino-3-oxoadipate HClEINECS 228-656-5NSC 394726317-41-5
Database identifiers
- CAS
6317-41-5- PubChem CID
- 412392
- EC Number
- 228-656-5
- Nikkaji
- J2.991.900C
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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