methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate

C12H9NO6 — CID 70610675

IUPACmethyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1coc2ccc(O)cc2c1=O
InChIInChI=1S/C12H9NO6/c1-18-12(17)11(16)13-8-5-19-9-3-2-6(14)4-7(9)10(8)15/h2-5,14H,1H3,(H,13,16)
InChIKeyCIYAJOLFPGENEF-UHFFFAOYSA-N
MW263.20 g/mol
LogP0.61
Rot. Bonds1

About methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate

methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate (PubChem CID 70610675) has the molecular formula C12H9NO6 and a molecular weight of 263.20 g/mol. Its IUPAC name is methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate
PubChem CID70610675
Molecular FormulaC12H9NO6
Molecular Weight263.20 g/mol
Exact Mass263.04
IUPAC Namemethyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1coc2ccc(O)cc2c1=O
InChIInChI=1S/C12H9NO6/c1-18-12(17)11(16)13-8-5-19-9-3-2-6(14)4-7(9)10(8)15/h2-5,14H,1H3,(H,13,16)
InChIKeyCIYAJOLFPGENEF-UHFFFAOYSA-N
XLogP0.61
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methyl-4-oxochromen-3-yl)amino]-2-oxoacetic acid
CID 70577533
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
tert-butyl 2-(1-benzofuran-3-ylamino)-2-oxoacetate
CID 115141648
methyl 2-[(4-hydroxy-2-oxochromen-6-yl)amino]-2-oxoacetate
CID 88747657
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
methyl 2-[4-hydroxy-2-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetate
CID 70806286
4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154171358
methyl 6-fluoro-4-oxochromene-3-carboxylate
CID 170871804
4-methyl-N-(4-oxochromen-3-yl)benzamide
CID 155539705
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492
N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 56637063

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate (CID 70610675) is methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1coc2ccc(O)cc2c1=O.
What is the InChIKey of methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate?
The InChIKey is CIYAJOLFPGENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c1-18-12(17)11(16)13-8-5-19-9-3-2-6(14)4-7(9)10(8)15/h2-5,14H,1H3,(H,13,16).
What are the key properties of methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate?
methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate has a molecular weight of 263.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-hydroxy-4-oxochromen-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 70610675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).