Basic information
- CAS
676559-70-9- Standard SMILES
CC(C)C[C@H](N)C(=O)N1[C@H](C#N)CC[C@@H]1C- InChIKey
XAPWGIWPMYCPRT-DCAQKATOSA-N- Molecular formula
- C12H21N3O
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.1684623
Names & identifiers
- Preferred name
- (2S,5S)-1-[(2S)-2-amino-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonitrile
- IUPAC
- (2S,5S)-1-[(2S)-2-amino-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonitrile
Names & synonyms
(2S,5S)-1-L-leucyl-5-methylpyrrolidine-2-carbonitrileSCHEMBL647567C5-substituted pyrrolidine 15BDBM12627DTXSID501134637(2S,5S)-1-[(2S)-2-amino-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonitrile676559-70-9(2S,5S)-1-[(2S)-2-Amino-4-methyl-1-oxopentyl]-5-methyl-2-pyrrolidinecarbonitrile
Database identifiers
- CAS
676559-70-9- PubChem CID
- 10242702
- DTXSID
DTXSID501134637
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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