2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid

C12H12F2N2O3 — CID 168698885

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
SMILESNC1CC(=O)N(C(C(=O)O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H12F2N2O3/c13-6-1-2-8(9(14)3-6)11(12(18)19)16-5-7(15)4-10(16)17/h1-3,7,11H,4-5,15H2,(H,18,19)
InChIKeyKIWMNOKFJFLDRU-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.65
Rot. Bonds3

About 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid

2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid (PubChem CID 168698885) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
PubChem CID168698885
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid
SMILESNC1CC(=O)N(C(C(=O)O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H12F2N2O3/c13-6-1-2-8(9(14)3-6)11(12(18)19)16-5-7(15)4-10(16)17/h1-3,7,11H,4-5,15H2,(H,18,19)
InChIKeyKIWMNOKFJFLDRU-UHFFFAOYSA-N
XLogP0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(3-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661738
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
CID 84747087
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168698845
S-[[1-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665911
2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 84747093
4-(chloromethyl)-1-[1-(2,4-difluorophenyl)ethyl]pyrrolidin-2-one
CID 168506566
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 168698995

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid (CID 168698885) is 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid is NC1CC(=O)N(C(C(=O)O)c2ccc(F)cc2F)C1.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid?
The InChIKey is KIWMNOKFJFLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-6-1-2-8(9(14)3-6)11(12(18)19)16-5-7(15)4-10(16)17/h1-3,7,11H,4-5,15H2,(H,18,19).
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid?
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid has a molecular weight of 270.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)-2-(2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 168698885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).