Completing data — usually done within a minute
Basic information
- CAS
923591-21-3- Standard SMILES
C=CCCCN(C)C(=O)N[C@H](C(=O)OC)C(C)(C)C- InChIKey
MIFAMOQPGXGWGW-LLVKDONJSA-N- Molecular formula
- C14H26N2O3
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.19434269
Names & identifiers
- Preferred name
- Methyl 3-methyl-N-[methyl(pent-4-en-1-yl)carbamoyl]-L-valinate
- IUPAC
- methyl (2S)-3,3-dimethyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoate
Names & synonyms
SCHEMBL3301434MIFAMOQPGXGWGW-LLVKDONJSA-NDTXSID601154501Methyl 3-methyl-N-[methyl(pent-4-en-1-yl)carbamoyl]-L-valinatemethyl 3-Methyl-N-{[methyl(pent-4-enyl)amino]carbonyl}-L-valinate3-Methyl-N-[(methyl-4-penten-1-ylamino)carbonyl]-L-valine methyl esterMethyl 3-methyl-N-{[methyl(pent-4-en-1-yl)amino]carbonyl}-L-valinate923591-21-3
Database identifiers
- CAS
923591-21-3- PubChem CID
- 59856469
- DTXSID
DTXSID601154501
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
4 records
Compound notes
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