2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid

C13H13FN2O4 — CID 168695804

IUPAC2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)C1CC(=O)N(C(C(=O)O)c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O4/c14-9-4-2-1-3-8(9)11(13(19)20)16-6-7(12(15)18)5-10(16)17/h1-4,7,11H,5-6H2,(H2,15,18)(H,19,20)
InChIKeyDUIXOCBQVYWJGZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.29
Rot. Bonds4

About 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid (PubChem CID 168695804) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
PubChem CID168695804
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid
SMILESNC(=O)C1CC(=O)N(C(C(=O)O)c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O4/c14-9-4-2-1-3-8(9)11(13(19)20)16-6-7(12(15)18)5-10(16)17/h1-4,7,11H,5-6H2,(H2,15,18)(H,19,20)
InChIKeyDUIXOCBQVYWJGZ-UHFFFAOYSA-N
XLogP0.29
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-methylphenyl)acetic acid
CID 168695785
2-(2-fluorophenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168692725
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-(2-fluorophenyl)acetic acid
CID 168506703
2-(2-fluorophenyl)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]acetic acid
CID 168669377
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168695935
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(3-bromophenyl)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168695805
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
CID 168698885
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713294
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid (CID 168695804) is 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid is NC(=O)C1CC(=O)N(C(C(=O)O)c2ccccc2F)C1.
What is the InChIKey of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid?
The InChIKey is DUIXOCBQVYWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c14-9-4-2-1-3-8(9)11(13(19)20)16-6-7(12(15)18)5-10(16)17/h1-4,7,11H,5-6H2,(H2,15,18)(H,19,20).
What are the key properties of 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid?
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid has a molecular weight of 280.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 168695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).