Basic information
- Standard SMILES
Cc1cnc(NC[C@H]2CCCN2CC(C)C)c(=O)n1CC(=O)O- InChIKey
GTVUSRDUFUCHQO-CYBMUJFWSA-N- Molecular formula
- C16H26N4O3
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]acetic acid
- IUPAC
- 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
Names & synonyms
SCHEMBL7025837GTVUSRDUFUCHQO-CYBMUJFWSA-N2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]acetic acid
Database identifiers
- PubChem CID
- 59900536
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
3 records
Compound notes
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