Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
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Basic information
- CAS
7401-55-0- Standard SMILES
CCOC(=O)N(CC(C)C(=O)OC)C(C)C- InChIKey
KSBRVAKNVXCGIU-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
- IUPAC
- methyl 3-[ethoxycarbonyl(propan-2-yl)amino]-2-methylpropanoate
- English name
- methyl 3-(ethoxycarbonyl-propan-2-yl-amino)-2-methyl-propanoate
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
7401-55-0methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoateNSC52856DTXSID80287852NSC-52856methyl 3-(ethoxycarbonyl-propan-2-yl-amino)-2-methyl-propanoatePropanoic acid, 3-[(ethoxycarbonyl)(1-methylethyl)amino]-2-methyl-, methyl ester
Database identifiers
- CAS
7401-55-0- PubChem CID
- 243301
- DTXSID
DTXSID80287852
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 293.1 · 293.1±19.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- -1.5 · -1.50±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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