methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate

C12H15NO6 — CID 21029862

IUPACmethyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cc(N)cc(OCC(=O)OC)c1
InChIInChI=1S/C12H15NO6/c1-16-11(14)6-18-9-3-8(13)4-10(5-9)19-7-12(15)17-2/h3-5H,6-7,13H2,1-2H3
InChIKeyOYHHQWUZCLYMSE-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.37
Rot. Bonds6

About methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate

methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate (PubChem CID 21029862) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
PubChem CID21029862
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Namemethyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SMILESCOC(=O)COc1cc(N)cc(OCC(=O)OC)c1
InChIInChI=1S/C12H15NO6/c1-16-11(14)6-18-9-3-8(13)4-10(5-9)19-7-12(15)17-2/h3-5H,6-7,13H2,1-2H3
InChIKeyOYHHQWUZCLYMSE-UHFFFAOYSA-N
XLogP0.37
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
3-(2-methoxy-2-oxoethoxy)-5-octadecoxybenzoic acid
CID 19091781
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
methyl 2-(3-bromo-5-formylphenoxy)acetate
CID 144883956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The IUPAC name of methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate (CID 21029862) is methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate is COC(=O)COc1cc(N)cc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
The InChIKey is OYHHQWUZCLYMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-16-11(14)6-18-9-3-8(13)4-10(5-9)19-7-12(15)17-2/h3-5H,6-7,13H2,1-2H3.
What are the key properties of methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate?
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate has a molecular weight of 269.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate is sourced from PubChem (CID 21029862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).