2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid

C13H15NO6 — CID 60662085

IUPAC2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
SMILESCCOC(=O)c1ccccc1NC(=O)COCC(=O)O
InChIInChI=1S/C13H15NO6/c1-2-20-13(18)9-5-3-4-6-10(9)14-11(15)7-19-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPHSDHINYQQJCAW-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid

2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid (PubChem CID 60662085) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
PubChem CID60662085
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
SMILESCCOC(=O)c1ccccc1NC(=O)COCC(=O)O
InChIInChI=1S/C13H15NO6/c1-2-20-13(18)9-5-3-4-6-10(9)14-11(15)7-19-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPHSDHINYQQJCAW-UHFFFAOYSA-N
XLogP0.90
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706272
ethyl 2-[[2-[(2S)-2-phenylsulfanylpropanoyl]oxyacetyl]amino]benzoate
CID 7806735
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid (CID 60662085) is 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid is CCOC(=O)c1ccccc1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid?
The InChIKey is PHSDHINYQQJCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-2-20-13(18)9-5-3-4-6-10(9)14-11(15)7-19-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid?
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid has a molecular weight of 281.26 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).