4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C7H9F3N2O3 — CID 142438491

IUPAC4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)2-12-6(15)4-3(13)1-11-5(4)14/h3-4,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeyVUFNKSNBSVRJMD-UHFFFAOYSA-N
MW226.15 g/mol
LogP-1.23
Rot. Bonds2

About 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 142438491) has the molecular formula C7H9F3N2O3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID142438491
Molecular FormulaC7H9F3N2O3
Molecular Weight226.15 g/mol
Exact Mass226.06
IUPAC Name4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)2-12-6(15)4-3(13)1-11-5(4)14/h3-4,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeyVUFNKSNBSVRJMD-UHFFFAOYSA-N
XLogP-1.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238354
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67293819
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293822
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293829
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
3,3-Difluoro-4-hydroxypyrrolidin-2-one
CID 76711068
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438408

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 142438491) is 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is VUFNKSNBSVRJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3/c8-7(9,10)2-12-6(15)4-3(13)1-11-5(4)14/h3-4,13H,1-2H2,(H,11,14)(H,12,15).
What are the key properties of 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 226.15 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 142438491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).