Basic information
- Standard SMILES
CCC(CC)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C(=O)O- InChIKey
AYMLHRWXLOHRLD-UHFFFAOYSA-N- Molecular formula
- C20H29N3O4
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- 2-[(6-Cyclopropylmethoxy-5-pyrrolidin-1-yl-pyridine-2-carbonyl)-amino]-2-ethyl-butyric acid
- IUPAC
- 2-[[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carbonyl]amino]-2-ethylbutanoic acid
Names & synonyms
CHEMBL3983067SCHEMBL14152136AYMLHRWXLOHRLD-UHFFFAOYSA-NBDBM210600US9290451, 2912-[(6-Cyclopropylmethoxy-5-pyrrolidin-1-yl-pyridine-2-carbonyl)-amino]-2-ethyl-butyric acid
Database identifiers
- PubChem CID
- 71087550
- ChEMBL
CHEMBL3983067
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Related reactions
3 records
Compound notes
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