Basic information
- Standard SMILES
COCCn1nc(C(=O)O)cc1CC(C)(C)NC(=O)OC(C)(C)C- InChIKey
GAOWCCBXUVZQFJ-UHFFFAOYSA-N- Molecular formula
- C16H27N3O5
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 5-{2-[(tert-butoxycarbonyl)amino]-2-methylpropyl}-1-(2-methoxyethyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL1233654GAOWCCBXUVZQFJ-UHFFFAOYSA-N5-{2-[(tert-butoxycarbonyl)amino]-2-methylpropyl}-1-(2-methoxyethyl)-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 66958682
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Related reactions
4 records
Compound notes
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