2-[(2-oxochromen-3-yl)amino]oxyacetic acid

C11H9NO5 — CID 88789261

IUPAC2-[(2-oxochromen-3-yl)amino]oxyacetic acid
SMILESO=C(O)CONc1cc2ccccc2oc1=O
InChIInChI=1S/C11H9NO5/c13-10(14)6-16-12-8-5-7-3-1-2-4-9(7)17-11(8)15/h1-5,12H,6H2,(H,13,14)
InChIKeyXNEDVFGRRUFZSY-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.22
Rot. Bonds4

About 2-[(2-oxochromen-3-yl)amino]oxyacetic acid

2-[(2-oxochromen-3-yl)amino]oxyacetic acid (PubChem CID 88789261) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-[(2-oxochromen-3-yl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-oxochromen-3-yl)amino]oxyacetic acid
PubChem CID88789261
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name2-[(2-oxochromen-3-yl)amino]oxyacetic acid
SMILESO=C(O)CONc1cc2ccccc2oc1=O
InChIInChI=1S/C11H9NO5/c13-10(14)6-16-12-8-5-7-3-1-2-4-9(7)17-11(8)15/h1-5,12H,6H2,(H,13,14)
InChIKeyXNEDVFGRRUFZSY-UHFFFAOYSA-N
XLogP1.22
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
2-oxochromene-3-carboxylic acid
CID 161011590
3-(prop-2-enylamino)chromen-2-one
CID 87617831
3-(butylamino)chromen-2-one
CID 154352647
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(hydroxymethyl)chromen-2-one
CID 22921481
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxochromen-3-yl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-oxochromen-3-yl)amino]oxyacetic acid (CID 88789261) is 2-[(2-oxochromen-3-yl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-oxochromen-3-yl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-oxochromen-3-yl)amino]oxyacetic acid is O=C(O)CONc1cc2ccccc2oc1=O.
What is the InChIKey of 2-[(2-oxochromen-3-yl)amino]oxyacetic acid?
The InChIKey is XNEDVFGRRUFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-10(14)6-16-12-8-5-7-3-1-2-4-9(7)17-11(8)15/h1-5,12H,6H2,(H,13,14).
What are the key properties of 2-[(2-oxochromen-3-yl)amino]oxyacetic acid?
2-[(2-oxochromen-3-yl)amino]oxyacetic acid has a molecular weight of 235.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxochromen-3-yl)amino]oxyacetic acid is sourced from PubChem (CID 88789261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).