Methyl 4-[(1-methylethyl)amino]-4-oxobutanoate
Basic information
- CAS
106615-88-7- Standard SMILES
COC(=O)CCC(=O)NC(C)C- InChIKey
FVALCSZXQBCKFT-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- Methyl 4-[(1-methylethyl)amino]-4-oxobutanoate
- IUPAC
- methyl 4-oxo-4-(propan-2-ylamino)butanoate
Names & synonyms
Methyl 4-[(1-methylethyl)amino]-4-oxobutanoateSCHEMBL13290382DTXSID201248609106615-88-7Methyl 4-oxo-4-[(propan-2-yl)amino]butanoate
Database identifiers
- CAS
106615-88-7- PubChem CID
- 10241271
- DTXSID
DTXSID201248609
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
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Compound notes
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