2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid

C12H17NO5S — CID 120516155

IUPAC2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1sccc1COC
InChIInChI=1S/C12H17NO5S/c1-17-5-4-13(7-10(14)15)12(16)11-9(8-18-2)3-6-19-11/h3,6H,4-5,7-8H2,1-2H3,(H,14,15)
InChIKeyNILKTUMYLJTAQD-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.07
Rot. Bonds8

About 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid

2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid (PubChem CID 120516155) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
PubChem CID120516155
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1sccc1COC
InChIInChI=1S/C12H17NO5S/c1-17-5-4-13(7-10(14)15)12(16)11-9(8-18-2)3-6-19-11/h3,6H,4-5,7-8H2,1-2H3,(H,14,15)
InChIKeyNILKTUMYLJTAQD-UHFFFAOYSA-N
XLogP1.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(methoxymethyl)thiophene-2-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 120540500
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60775997
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526415

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid (CID 120516155) is 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)c1sccc1COC.
What is the InChIKey of 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid?
The InChIKey is NILKTUMYLJTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-17-5-4-13(7-10(14)15)12(16)11-9(8-18-2)3-6-19-11/h3,6H,4-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 120516155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).