2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

C13H13FN2O4 — CID 43442842

IUPAC2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H13FN2O4/c14-8-3-1-4-9(12(8)13(19)20)15-10(17)7-16-6-2-5-11(16)18/h1,3-4H,2,5-7H2,(H,15,17)(H,19,20)
InChIKeyJERWWCGACGHFFF-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.08
Rot. Bonds4

About 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 43442842) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
PubChem CID43442842
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H13FN2O4/c14-8-3-1-4-9(12(8)13(19)20)15-10(17)7-16-6-2-5-11(16)18/h1,3-4H,2,5-7H2,(H,15,17)(H,19,20)
InChIKeyJERWWCGACGHFFF-UHFFFAOYSA-N
XLogP1.08
TPSA86.71 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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880495
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (CID 43442842) is 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is O=C(CN1CCCC1=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is JERWWCGACGHFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c14-8-3-1-4-9(12(8)13(19)20)15-10(17)7-16-6-2-5-11(16)18/h1,3-4H,2,5-7H2,(H,15,17)(H,19,20).
What are the key properties of 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 280.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43442842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).