1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid

C11H9NO3S2 — CID 80734365

IUPAC1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc2sccc2s1
InChIInChI=1S/C11H9NO3S2/c13-9(12-11(2-3-11)10(14)15)8-5-7-6(17-8)1-4-16-7/h1,4-5H,2-3H2,(H,12,13)(H,14,15)
InChIKeyPFIKUGXHUWTNKC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.31
Rot. Bonds3

About 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid

1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid (PubChem CID 80734365) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
PubChem CID80734365
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc2sccc2s1
InChIInChI=1S/C11H9NO3S2/c13-9(12-11(2-3-11)10(14)15)8-5-7-6(17-8)1-4-16-7/h1,4-5H,2-3H2,(H,12,13)(H,14,15)
InChIKeyPFIKUGXHUWTNKC-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
CID 80722552
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
1-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 83211818
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
1-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157858
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80744726
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700

Frequently Asked Questions

What is the IUPAC name of 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid (CID 80734365) is 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cc2sccc2s1.
What is the InChIKey of 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is PFIKUGXHUWTNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c13-9(12-11(2-3-11)10(14)15)8-5-7-6(17-8)1-4-16-7/h1,4-5H,2-3H2,(H,12,13)(H,14,15).
What are the key properties of 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid?
1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 80734365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).