2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid

C12H8FNO5 — CID 91166350

IUPAC2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C12H8FNO5/c13-6-3-1-2-5-8(6)11(18)9(10(5)17)12(19)14-4-7(15)16/h1-3,9H,4H2,(H,14,19)(H,15,16)
InChIKeyIVGVWMUXZFHKFI-UHFFFAOYSA-N
MW265.20 g/mol
LogP0.02
Rot. Bonds3

About 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid

2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid (PubChem CID 91166350) has the molecular formula C12H8FNO5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid
PubChem CID91166350
Molecular FormulaC12H8FNO5
Molecular Weight265.20 g/mol
Exact Mass265.04
IUPAC Name2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C12H8FNO5/c13-6-3-1-2-5-8(6)11(18)9(10(5)17)12(19)14-4-7(15)16/h1-3,9H,4H2,(H,14,19)(H,15,16)
InChIKeyIVGVWMUXZFHKFI-UHFFFAOYSA-N
XLogP0.02
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(5-fluoro-4,4-dimethyl-1,3-dioxonaphthalene-2-carbonyl)amino]acetic acid
CID 90820254
2-[(1,3-dioxo-4-pyridin-3-ylindene-2-carbonyl)amino]acetic acid
CID 91406065
2-[[4-(oxan-4-yl)-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 91339390
2-[(4,7-dichloro-1,3-dioxoindene-2-carbonyl)amino]acetic acid
CID 90694938
2-[[5-(2-chlorophenyl)-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 90834960
2-[[5-[2-(carboxymethylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 163236797
2-[[4,4-dimethyl-1,3-dioxo-8-(trifluoromethyl)naphthalene-2-carbonyl]amino]acetic acid
CID 91372545
2-[[2,4-dioxo-6-[2-(trifluoromethyl)phenyl]thiochromene-3-carbonyl]amino]acetic acid
CID 46206882
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-[(6-chloro-4-ethyl-4-methyl-1,3-dioxonaphthalene-2-carbonyl)amino]acetic acid
CID 91198029
2-acetamidoacetic acid;1,2,3-trimethylbenzene
CID 67885063

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid (CID 91166350) is 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid?
The InChIKey is IVGVWMUXZFHKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5/c13-6-3-1-2-5-8(6)11(18)9(10(5)17)12(19)14-4-7(15)16/h1-3,9H,4H2,(H,14,19)(H,15,16).
What are the key properties of 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid?
2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid has a molecular weight of 265.20 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1,3-dioxoindene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 91166350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).