Methyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
Basic information
- CAS
6946-70-9- Standard SMILES
COC(=O)CCC(=O)N(CC(C)C)CC(C)C- InChIKey
VQUQCPMYNZHKNX-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- Methyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
- IUPAC
- methyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoate
Names & synonyms
6946-70-9methyl 4-[bis(2-methylpropyl)amino]-4-oxobutanoateNSC57352Butanoic acid,4-[bis(2-methylpropyl)amino]-4-oxo-, methyl esterDTXSID00288705NSC-57352DS-007368
Database identifiers
- CAS
6946-70-9- PubChem CID
- 245402
- DTXSID
DTXSID00288705
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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