N-(2-Methyl-1-oxobutyl)glycine methyl ester
Basic information
- CAS
52320-68-0- Standard SMILES
CCC(C)C(=O)NCC(=O)OC- InChIKey
JRTJKVMHEVDIEM-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- N-(2-Methyl-1-oxobutyl)glycine methyl ester
- IUPAC
- methyl 2-(2-methylbutanoylamino)acetate
Names & synonyms
N-(2-Methyl-1-oxobutyl)glycine methyl ester52320-68-0RefChem:360882.alpha.-Methylbutyrylglycine, methyl esterSCHEMBL12532806JRTJKVMHEVDIEM-UHFFFAOYSA-NDTXSID901262397Methyl N-(2-methylbutanoyl)glycinateAKOS009125163
Database identifiers
- CAS
52320-68-0- PubChem CID
- 6429409
- DTXSID
DTXSID901262397
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 168
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Related reactions
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Compound notes
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