(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C14H13NO6 — CID 7844229

IUPAC(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(N)=O)ccc12
InChIInChI=1S/C14H13NO6/c1-8-4-13(17)21-11-5-9(2-3-10(8)11)19-7-14(18)20-6-12(15)16/h2-5H,6-7H2,1H3,(H2,15,16)
InChIKeyWYUQADWPFRYCMZ-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.51
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 7844229) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID7844229
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(N)=O)ccc12
InChIInChI=1S/C14H13NO6/c1-8-4-13(17)21-11-5-9(2-3-10(8)11)19-7-14(18)20-6-12(15)16/h2-5H,6-7H2,1H3,(H2,15,16)
InChIKeyWYUQADWPFRYCMZ-UHFFFAOYSA-N
XLogP0.51
TPSA108.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844105
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844178
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844242
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9491884
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
(2-hydroxyimino-2-phenylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3132124
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844090
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 7844229) is (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCC(N)=O)ccc12.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is WYUQADWPFRYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-8-4-13(17)21-11-5-9(2-3-10(8)11)19-7-14(18)20-6-12(15)16/h2-5H,6-7H2,1H3,(H2,15,16).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 291.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 7844229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).