2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid

C14H13FN2O4 — CID 123659178

IUPAC2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid
SMILESO=C(O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C14H13FN2O4/c15-11-5-8(17-3-1-2-12(17)18)4-9-10(11)6-16(14(9)21)7-13(19)20/h4-5H,1-3,6-7H2,(H,19,20)
InChIKeyMONPGQQNUDJLPU-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.99
Rot. Bonds3

About 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid (PubChem CID 123659178) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid
PubChem CID123659178
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid
SMILESO=C(O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C14H13FN2O4/c15-11-5-8(17-3-1-2-12(17)18)4-9-10(11)6-16(14(9)21)7-13(19)20/h4-5H,1-3,6-7H2,(H,19,20)
InChIKeyMONPGQQNUDJLPU-UHFFFAOYSA-N
XLogP0.99
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1,2-dihydroinden-2-yl]acetamide
CID 123383493
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
CID 126497716
2-(7-fluoro-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115041933
2-(5-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127963
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
3-[2-fluoro-4-(2-oxoazepan-1-yl)phenyl]prop-2-enoic acid
CID 77069457
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253004
1-[3-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124590598
2-(5,8-difluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82279707
2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115035224

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid?
The IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid (CID 123659178) is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid.
What is the SMILES notation for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid?
The canonical SMILES for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid is O=C(O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O.
What is the InChIKey of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid?
The InChIKey is MONPGQQNUDJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c15-11-5-8(17-3-1-2-12(17)18)4-9-10(11)6-16(14(9)21)7-13(19)20/h4-5H,1-3,6-7H2,(H,19,20).
What are the key properties of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid?
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid has a molecular weight of 292.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid is sourced from PubChem (CID 123659178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).