Basic information
- Standard SMILES
COC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(C)(C)C- InChIKey
BYQYYKPKLCWQAI-MRXNPFEDSA-N- Molecular formula
- C20H28N2O4
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-[(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-amino]-3,3-dimethyl-butyric acid methyl ester
- IUPAC
- methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
Names & synonyms
CHEMBL4115612SCHEMBL14152044BYQYYKPKLCWQAI-MRXNPFEDSA-NBDBM210534US9290451, 239(S)-2-[(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-amino]-3,3-dimethyl-butyric acid methyl ester
Database identifiers
- PubChem CID
- 71087494
- ChEMBL
CHEMBL4115612
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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