(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid

C11H10FNO3 — CID 40649107

IUPAC(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyGKKWONDBUXUCHF-SECBINFHSA-N
MW223.20 g/mol
LogP1.26
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid

(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 40649107) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID40649107
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
InChIKeyGKKWONDBUXUCHF-SECBINFHSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353711
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
1-(4-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 43378466
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46159323
2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
CID 62328696
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
CID 63788392
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 167772223
(2R)-2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363163
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193122

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid (CID 40649107) is (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GKKWONDBUXUCHF-SECBINFHSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 40649107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).