[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid

C11H11FN2O3 — CID 138684995

IUPAC[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(=O)NC1c1cccc(F)c1
InChIInChI=1S/C11H11FN2O3/c12-7-3-1-2-6(4-7)10-8(13-11(16)17)5-9(15)14-10/h1-4,8,10,13H,5H2,(H,14,15)(H,16,17)
InChIKeyDPOIXLUOGNBWQK-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.02
Rot. Bonds2

About [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid

[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 138684995) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
PubChem CID138684995
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(=O)NC1c1cccc(F)c1
InChIInChI=1S/C11H11FN2O3/c12-7-3-1-2-6(4-7)10-8(13-11(16)17)5-9(15)14-10/h1-4,8,10,13H,5H2,(H,14,15)(H,16,17)
InChIKeyDPOIXLUOGNBWQK-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(2R)-2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 138725392
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014411
2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138684556
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 155225011
N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684907
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid (CID 138684995) is [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid is O=C(O)NC1CC(=O)NC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is DPOIXLUOGNBWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-3-1-2-6(4-7)10-8(13-11(16)17)5-9(15)14-10/h1-4,8,10,13H,5H2,(H,14,15)(H,16,17).
What are the key properties of [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid?
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 238.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 138684995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).