5-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid

HCID 4154053

Notes Reactions

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Basic information

Standard SMILES: CC(C)N1C(=O)CCC1C(=O)O
InChIKey: JKROOJVDSHRXCY-UHFFFAOYSA-N
Molecular formula: C8H13NO3
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.08954328

Names & identifiers

Preferred name: 5-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid
IUPAC: 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid

Names & synonyms

5-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid1001390-55-1MLS000522024ChemDiv2_003120SCHEMBL2443430CHEMBL1719669SCHEMBL31694820HMS1377N18HMS2539G18DMB06385AKOS037446629SMR000132432

Show more names

EU-0029910EN300-3702825-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylicacid

Database identifiers

PubChem CID: 4154053
ChEMBL: CHEMBL1719669

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 212

Related reactions

3 records

New reaction record

HRID 93734As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166441As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2160334As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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