2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid

C12H8FNO5S — CID 67420904

IUPAC2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)sc2cc(F)ccc2c1=O
InChIInChI=1S/C12H8FNO5S/c13-5-1-2-6-7(3-5)20-12(19)9(10(6)17)11(18)14-4-8(15)16/h1-3,19H,4H2,(H,14,18)(H,15,16)
InChIKeyLKXSSJYUXDOMSW-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.92
Rot. Bonds3

About 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid

2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid (PubChem CID 67420904) has the molecular formula C12H8FNO5S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid
PubChem CID67420904
Molecular FormulaC12H8FNO5S
Molecular Weight297.26 g/mol
Exact Mass297.01
IUPAC Name2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)sc2cc(F)ccc2c1=O
InChIInChI=1S/C12H8FNO5S/c13-5-1-2-6-7(3-5)20-12(19)9(10(6)17)11(18)14-4-8(15)16/h1-3,19H,4H2,(H,14,18)(H,15,16)
InChIKeyLKXSSJYUXDOMSW-UHFFFAOYSA-N
XLogP0.92
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[7-(4-fluorophenyl)-2-hydroxy-4-oxothiochromene-3-carbonyl]amino]acetic acid;2-[(2-hydroxy-4-oxo-7-phenylthiochromene-3-carbonyl)amino]acetic acid
CID 67421000
2-[[6-(4-fluorophenyl)-2-hydroxy-4-oxothiochromene-3-carbonyl]amino]acetic acid
CID 67420540
2-[[7-(3,5-dichlorophenyl)-2-hydroxy-4-oxothiochromene-3-carbonyl]amino]acetic acid
CID 67421291
2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid
CID 67420893
2-[(8-benzyl-6-chloro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid
CID 67420577
3-chloro-N-(2-chloroprop-2-enyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115636901
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
2-[[8-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-oxothiochromene-3-carbonyl]amino]acetic acid;2-[[2-hydroxy-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-oxothiochromene-3-carbonyl]amino]acetic acid
CID 87393279
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
2-[[6-fluoro-4-hydroxy-2-oxo-1-(3-phenylpropyl)quinoline-3-carbonyl]amino]acetic acid
CID 70316747
2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride
CID 66963174
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid (CID 67420904) is 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)sc2cc(F)ccc2c1=O.
What is the InChIKey of 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid?
The InChIKey is LKXSSJYUXDOMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO5S/c13-5-1-2-6-7(3-5)20-12(19)9(10(6)17)11(18)14-4-8(15)16/h1-3,19H,4H2,(H,14,18)(H,15,16).
What are the key properties of 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid?
2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid has a molecular weight of 297.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2-hydroxy-4-oxothiochromene-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 67420904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).