1-Octyl-5-oxopyrrolidine-3-carboxylic acid

HCID 94089

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Basic information

CAS: 58505-91-2
Standard SMILES: CCCCCCCCN1CC(C(=O)O)CC1=O
InChIKey: KTVSYQGGEIIOPJ-UHFFFAOYSA-N
Molecular formula: C13H23NO3
Average molar mass: 241.33 g/mol
Monoisotopic mass: 241.1677936

Names & identifiers

Preferred name: 1-Octyl-5-oxopyrrolidine-3-carboxylic acid
IUPAC: 1-octyl-5-oxopyrrolidine-3-carboxylic acid
English name: 1-octyl-5-oxopyrrolidine-3-carboxylic acid
Molecular formula: C13H23NO3
Molecular weight: 241.33

Names & synonyms

1-Octyl-5-oxopyrrolidine-3-carboxylic acid58505-91-2EINECS 261-300-7SCHEMBL2890516DTXSID70974062AKOS017548309DB-323108N-octyl-5-oxopyrrolidine-3-carboxylic acidNS000527901-Octyl-5-oxo-3-pyrrolidinecarboxylic acid3-Pyrrolidinecarboxylic acid, 1-octyl-5-oxo-

Database identifiers

CAS: 58505-91-2
PubChem CID: 94089
DTXSID: DTXSID70974062
EC Number: 261-300-7
Nikkaji: J296.960B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 265

Chemistry & industry

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Related reactions

2 records

New reaction record

HRID 1801404As productuspto-grants-2013_01

HRID 1801405As productuspto-grants-2013_01

Compound notes

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