2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid

C12H13NO4S2 — CID 80733581

IUPAC2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO4S2/c1-17-4-3-13(7-11(14)15)12(16)10-6-9-8(19-10)2-5-18-9/h2,5-6H,3-4,7H2,1H3,(H,14,15)
InChIKeyCOSGWXPWAOQHIN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid

2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid (PubChem CID 80733581) has the molecular formula C12H13NO4S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
PubChem CID80733581
Molecular FormulaC12H13NO4S2
Molecular Weight299.37 g/mol
Exact Mass299.03
IUPAC Name2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H13NO4S2/c1-17-4-3-13(7-11(14)15)12(16)10-6-9-8(19-10)2-5-18-9/h2,5-6H,3-4,7H2,1H3,(H,14,15)
InChIKeyCOSGWXPWAOQHIN-UHFFFAOYSA-N
XLogP2.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733670
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
2-[2-methoxyethyl-(5-nitro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119189388
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
2-[2-methoxyethyl-[3-(methoxymethyl)thiophene-2-carbonyl]amino]acetic acid
CID 120516155
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
CID 80745942
N-benzyl-N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78967977
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189587

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid (CID 80733581) is 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc2sccc2s1.
What is the InChIKey of 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The InChIKey is COSGWXPWAOQHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S2/c1-17-4-3-13(7-11(14)15)12(16)10-6-9-8(19-10)2-5-18-9/h2,5-6H,3-4,7H2,1H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 80733581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).