Methyl N,3-diethylnorvalinate
Basic information
- CAS
1247536-64-6- Standard SMILES
CCNC(C(=O)OC)C(CC)CC- InChIKey
IOAAOAFUZRGWHA-UHFFFAOYSA-N- Molecular formula
- C10H21NO2
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.15722891
Names & identifiers
- Preferred name
- Methyl N,3-diethylnorvalinate
- IUPAC
- methyl 3-ethyl-2-(ethylamino)pentanoate
Names & synonyms
Methyl N,3-diethylnorvalinateN,3-Diethylnorvaline methyl esterDTXSID101300719AKOS0105724111247536-64-6
Database identifiers
- CAS
1247536-64-6- PubChem CID
- 61318112
- DTXSID
DTXSID101300719
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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