Dimethyl D-aspartate
Basic information
- CAS
88067-96-3- Standard SMILES
COC(=O)C[C@@H](N)C(=O)OC- InChIKey
BYHXBBOSJKPUJL-SCSAIBSYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Names & identifiers
- Preferred name
- Dimethyl D-aspartate
- IUPAC
- dimethyl (2R)-2-aminobutanedioate
- English name
- dimethyl D-aspartate
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
88067-96-3dimethyl D-aspartateDTXSID20426389RefChem:338681DTXCID40377223(R)-Dimethyl 2-aminosuccinate1,4-DIMETHYL (2R)-2-AMINOBUTANEDIOATED-Aspartic acid, dimethyl esterd-aspartic acid dimethyl esterdimethyl (2R)-2-aminobutanedioate(R)-Dimethyl2-aminosuccinateSCHEMBL12286780
Show more names
D-Aspartic acid, 1,4-dimethyl ester
BYHXBBOSJKPUJL-SCSAIBSYSA-NAKOS022181976PD197149EN300-98750
Database identifiers
- CAS
88067-96-3- PubChem CID
- 6994535
- DTXSID
DTXSID20426389- Nikkaji
- J365.294G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 223 · 223.0±25.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 5.9 · 5.90±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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