Basic information
- CAS
135884-94-5- Standard SMILES
COC(=O)C(C(C)C)N1CCNC(C(C)C)C1=O- InChIKey
UTBKDNCJQXGYOJ-UHFFFAOYSA-N- Molecular formula
- C13H24N2O3
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.17869263
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
- IUPAC
- methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoate
Names & synonyms
Evv-och3Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoateRefChem:157506135884-94-5methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoateDTXSID50929171methyl 3-methyl-2-(2/'-oxo-3/'-isopropyl-1/'-piperazinyl)butanoateMethyl 3-methyl-2-[2-oxo-3-(propan-2-yl)piperazin-1-yl]butanoate
Database identifiers
- CAS
135884-94-5- PubChem CID
- 131920
- DTXSID
DTXSID50929171
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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