2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid

C10H9NO3S2 — CID 80729193

IUPAC2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cc2sccc2s1)C(=O)O
InChIInChI=1S/C10H9NO3S2/c1-5(10(13)14)11-9(12)8-4-7-6(16-8)2-3-15-7/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyPJNYAQJYQAXTCU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.17
Rot. Bonds3

About 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid

2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid (PubChem CID 80729193) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
PubChem CID80729193
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cc2sccc2s1)C(=O)O
InChIInChI=1S/C10H9NO3S2/c1-5(10(13)14)11-9(12)8-4-7-6(16-8)2-3-15-7/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyPJNYAQJYQAXTCU-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
(2S)-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanedioic acid
CID 80733821
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744881

Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid?
The IUPAC name of 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid (CID 80729193) is 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid is CC(NC(=O)c1cc2sccc2s1)C(=O)O.
What is the InChIKey of 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid?
The InChIKey is PJNYAQJYQAXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c1-5(10(13)14)11-9(12)8-4-7-6(16-8)2-3-15-7/h2-5H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid?
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid is sourced from PubChem (CID 80729193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).