(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate

C12H11NO5 — CID 61323433

IUPAC(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
SMILESCOC(=O)COC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H11NO5/c1-16-11(14)6-17-12(15)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3
InChIKeyRHFDISQBIMBTNR-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.34
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate

(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate (PubChem CID 61323433) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
PubChem CID61323433
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
SMILESCOC(=O)COC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H11NO5/c1-16-11(14)6-17-12(15)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3
InChIKeyRHFDISQBIMBTNR-UHFFFAOYSA-N
XLogP1.34
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-4-oxobutyl) 5-amino-1-benzofuran-2-carboxylate
CID 61323455
[2-(butan-2-ylamino)-2-oxoethyl] 5-amino-1-benzofuran-2-carboxylate
CID 61320981
(2-methylphenyl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 61321170
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
pyrimidin-2-ylmethyl 5-amino-1-benzofuran-2-carboxylate
CID 62700525
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
3-cyanopropyl 5-amino-1-benzofuran-2-carboxylate
CID 61321172
(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
CID 61317152
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
(1-methylpyrazol-4-yl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 62127700
(3-chlorophenyl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 61321352

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate (CID 61323433) is (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate is COC(=O)COC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate?
The InChIKey is RHFDISQBIMBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-11(14)6-17-12(15)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate?
(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate is sourced from PubChem (CID 61323433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).