methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate

C11H13NO4 — CID 43190825

IUPACmethyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
SMILESCOC(=O)CNC1COc2cc(O)ccc21
InChIInChI=1S/C11H13NO4/c1-15-11(14)5-12-9-6-16-10-4-7(13)2-3-8(9)10/h2-4,9,12-13H,5-6H2,1H3
InChIKeyLJAQRZROYISHQM-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.59
Rot. Bonds3

About methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate

methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate (PubChem CID 43190825) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
PubChem CID43190825
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
SMILESCOC(=O)CNC1COc2cc(O)ccc21
InChIInChI=1S/C11H13NO4/c1-15-11(14)5-12-9-6-16-10-4-7(13)2-3-8(9)10/h2-4,9,12-13H,5-6H2,1H3
InChIKeyLJAQRZROYISHQM-UHFFFAOYSA-N
XLogP0.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate (CID 43190825) is methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate is COC(=O)CNC1COc2cc(O)ccc21.
What is the InChIKey of methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate?
The InChIKey is LJAQRZROYISHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11(14)5-12-9-6-16-10-4-7(13)2-3-8(9)10/h2-4,9,12-13H,5-6H2,1H3.
What are the key properties of methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate?
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate has a molecular weight of 223.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate is sourced from PubChem (CID 43190825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).