2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid

C14H17NO7 — CID 23356773

IUPAC2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
SMILESCCOC(=O)COc1cc(C(=O)CN)ccc1OCC(=O)O
InChIInChI=1S/C14H17NO7/c1-2-20-14(19)8-22-12-5-9(10(16)6-15)3-4-11(12)21-7-13(17)18/h3-5H,2,6-8,15H2,1H3,(H,17,18)
InChIKeyWBOLNHGQKNJLDJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.23
Rot. Bonds9

About 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid

2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid (PubChem CID 23356773) has the molecular formula C14H17NO7 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
PubChem CID23356773
Molecular FormulaC14H17NO7
Molecular Weight311.29 g/mol
Exact Mass311.10
IUPAC Name2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
SMILESCCOC(=O)COc1cc(C(=O)CN)ccc1OCC(=O)O
InChIInChI=1S/C14H17NO7/c1-2-20-14(19)8-22-12-5-9(10(16)6-15)3-4-11(12)21-7-13(17)18/h3-5H,2,6-8,15H2,1H3,(H,17,18)
InChIKeyWBOLNHGQKNJLDJ-UHFFFAOYSA-N
XLogP0.23
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-(2-aminoacetyl)-2-ethylsulfanylphenoxy]acetate
CID 67246039
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid
CID 21466077
4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 14878288
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
ethyl 2-[4-(2-bromoacetyl)-2-methylphenoxy]acetate
CID 18918343
2-amino-1-(3,4-dioctoxyphenyl)ethanone
CID 170860475
2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid
CID 131990889
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-[4-(2-aminoacetyl)-2,6-bis(ethylsulfanyl)phenoxy]acetate
CID 67247425
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
ethyl 2-[4-(2-aminoacetyl)-2-ethyl-3-hydroxyphenoxy]acetate
CID 67247334

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid (CID 23356773) is 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid is CCOC(=O)COc1cc(C(=O)CN)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid?
The InChIKey is WBOLNHGQKNJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7/c1-2-20-14(19)8-22-12-5-9(10(16)6-15)3-4-11(12)21-7-13(17)18/h3-5H,2,6-8,15H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid?
2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid has a molecular weight of 311.29 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid is sourced from PubChem (CID 23356773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).