(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C11H9FNO3- — CID 6935573

IUPAC(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeyJYYMPQMWOVXMDK-SSDOTTSWSA-M
MW222.20 g/mol
LogP-0.07
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 6935573) has the molecular formula C11H9FNO3- and a molecular weight of 222.20 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID6935573
Molecular FormulaC11H9FNO3-
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeyJYYMPQMWOVXMDK-SSDOTTSWSA-M
XLogP-0.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2376773
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
1-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 102189276
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 6935573) is (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JYYMPQMWOVXMDK-SSDOTTSWSA-M. The full InChI is InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/p-1/t7-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 222.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6935573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).