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

C13H15NO3S2 — CID 80733670

IUPAC2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C13H15NO3S2/c1-8(2)6-14(7-12(15)16)13(17)11-5-10-9(19-11)3-4-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyOQSNJJJVVFIKNL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.15
Rot. Bonds5

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

2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid (PubChem CID 80733670) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
PubChem CID80733670
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C13H15NO3S2/c1-8(2)6-14(7-12(15)16)13(17)11-5-10-9(19-11)3-4-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyOQSNJJJVVFIKNL-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]butanoic acid
CID 80734197
3-[tert-butyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80734116
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
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
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745480
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid (CID 80733670) is 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cc2sccc2s1.
What is the InChIKey of 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
The InChIKey is OQSNJJJVVFIKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-8(2)6-14(7-12(15)16)13(17)11-5-10-9(19-11)3-4-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid?
2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 80733670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).