4-[Bis(2-methylpropyl)amino]-4-oxobutanoic acid
Basic information
- CAS
1719-00-2- Standard SMILES
CC(C)CN(CC(C)C)C(=O)CCC(=O)O- InChIKey
VFQVPAFURNCNTR-UHFFFAOYSA-N- Molecular formula
- C12H23NO3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.1677936
Names & identifiers
- Preferred name
- 4-[Bis(2-methylpropyl)amino]-4-oxobutanoic acid
- IUPAC
- 4-[bis(2-methylpropyl)amino]-4-oxobutanoic acid
- English name
- Butanoic acid, 4-[bis(2-methylpropyl)amino]-4-oxo-
- Molecular formula
- C12H23NO3
- Molecular weight
- 229.32
Names & synonyms
1719-00-24-[Bis(2-methylpropyl)amino]-4-oxobutanoic acidButanoic acid, 4-[bis(2-methylpropyl)amino]-4-oxo-4-(Bis(2-methylpropyl)amino)-4-oxobutanoic acidSCHEMBL1116505DTXSID30655986AKOS009002547A1-05543
Database identifiers
- CAS
1719-00-2- PubChem CID
- 43399682
- DTXSID
DTXSID30655986
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 362.8 · 362.8±25.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.10(Predicted)
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Related reactions
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Compound notes
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