2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid

C13H13NO7 — CID 131990889

IUPAC2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)N=O)c1
InChIInChI=1S/C13H13NO7/c1-2-9(15)8-3-4-10(21-7-13(17)18)11(5-8)20-6-12(16)14-19/h3-5H,2,6-7H2,1H3,(H,17,18)
InChIKeyGHXDIANGTDWNNN-UHFFFAOYSA-N
MW295.25 g/mol
LogP1.41
Rot. Bonds8

About 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid

2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid (PubChem CID 131990889) has the molecular formula C13H13NO7 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid
PubChem CID131990889
Molecular FormulaC13H13NO7
Molecular Weight295.25 g/mol
Exact Mass295.07
IUPAC Name2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid
SMILESCCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)N=O)c1
InChIInChI=1S/C13H13NO7/c1-2-9(15)8-3-4-10(21-7-13(17)18)11(5-8)20-6-12(16)14-19/h3-5H,2,6-7H2,1H3,(H,17,18)
InChIKeyGHXDIANGTDWNNN-UHFFFAOYSA-N
XLogP1.41
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
CID 23356773
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462
1-(4-butoxy-3-ethoxyphenyl)propan-1-one
CID 83952161
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
CID 53318156
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid
CID 21466077
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid?
The IUPAC name of 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid (CID 131990889) is 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid is CCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)N=O)c1.
What is the InChIKey of 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid?
The InChIKey is GHXDIANGTDWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO7/c1-2-9(15)8-3-4-10(21-7-13(17)18)11(5-8)20-6-12(16)14-19/h3-5H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid?
2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid has a molecular weight of 295.25 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid is sourced from PubChem (CID 131990889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).