2-Methyl-4-(pyrrolidin-1-yl)butanoic acid
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Basic information
- CAS
1040724-56-8- Standard SMILES
CC(CCN1CCCC1)C(=O)O- InChIKey
HCZNTFJDUVRWEK-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 2-Methyl-4-(pyrrolidin-1-yl)butanoic acid
- IUPAC
- 2-methyl-4-pyrrolidin-1-ylbutanoic acid
- English name
- a-Methyl-1-Pyrrolidinebutanoic acid
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.23678
Names & synonyms
2-methyl-4-(pyrrolidin-1-yl)butanoic acid1040724-56-8SCHEMBL1855094HCZNTFJDUVRWEK-UHFFFAOYSA-NAKOS0175307882-methyl-4-pyrrolidin-1-yl-butyric acidEN300-649084a-Methyl-1-Pyrrolidinebutanoic acid
Database identifiers
- CAS
1040724-56-8- PubChem CID
- 53870793
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
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Compound notes
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