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

C8H11F3N2O3 — CID 142438446

IUPAC4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1C(=O)NCC1O
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)1-2-12-6(15)5-4(14)3-13-7(5)16/h4-5,14H,1-3H2,(H,12,15)(H,13,16)
InChIKeyZCBJOXAFUIYTGF-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.84
Rot. Bonds3

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

4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide (PubChem CID 142438446) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
PubChem CID142438446
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1C(=O)NCC1O
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)1-2-12-6(15)5-4(14)3-13-7(5)16/h4-5,14H,1-3H2,(H,12,15)(H,13,16)
InChIKeyZCBJOXAFUIYTGF-UHFFFAOYSA-N
XLogP-0.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.84
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-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide (CID 142438446) is 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide is O=C(NCCC(F)(F)F)C1C(=O)NCC1O.
What is the InChIKey of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
The InChIKey is ZCBJOXAFUIYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)1-2-12-6(15)5-4(14)3-13-7(5)16/h4-5,14H,1-3H2,(H,12,15)(H,13,16).
What are the key properties of 4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide?
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide has a molecular weight of 240.18 g/mol, XLogP of -0.84, 3 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-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 142438446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).