(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate

C13H15NO7 — CID 59253966

IUPAC(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COC(=O)COc1ccc(NC(=O)CO)cc1
InChIInChI=1S/C13H15NO7/c1-19-12(17)7-21-13(18)8-20-10-4-2-9(3-5-10)14-11(16)6-15/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyGXZHAGJZDDJYNN-UHFFFAOYSA-N
MW297.26 g/mol
LogP-0.29
Rot. Bonds7

About (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate

(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate (PubChem CID 59253966) has the molecular formula C13H15NO7 and a molecular weight of 297.26 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
PubChem CID59253966
Molecular FormulaC13H15NO7
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COC(=O)COc1ccc(NC(=O)CO)cc1
InChIInChI=1S/C13H15NO7/c1-19-12(17)7-21-13(18)8-20-10-4-2-9(3-5-10)14-11(16)6-15/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyGXZHAGJZDDJYNN-UHFFFAOYSA-N
XLogP-0.29
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
CID 173159456
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate (CID 59253966) is (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate is COC(=O)COC(=O)COc1ccc(NC(=O)CO)cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate?
The InChIKey is GXZHAGJZDDJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO7/c1-19-12(17)7-21-13(18)8-20-10-4-2-9(3-5-10)14-11(16)6-15/h2-5,15H,6-8H2,1H3,(H,14,16).
What are the key properties of (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate?
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate has a molecular weight of 297.26 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate is sourced from PubChem (CID 59253966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).