6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid

C10H13NO2S — CID 83909638

IUPAC6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESCCc1cc2c(s1)C(N)(C(=O)O)CC2
InChIInChI=1S/C10H13NO2S/c1-2-7-5-6-3-4-10(11,9(12)13)8(6)14-7/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyPWNYXOXTHULFKK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.50
Rot. Bonds2

About 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid

6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid (PubChem CID 83909638) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
PubChem CID83909638
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESCCc1cc2c(s1)C(N)(C(=O)O)CC2
InChIInChI=1S/C10H13NO2S/c1-2-7-5-6-3-4-10(11,9(12)13)8(6)14-7/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyPWNYXOXTHULFKK-UHFFFAOYSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The IUPAC name of 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid (CID 83909638) is 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid.
What is the SMILES notation for 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The canonical SMILES for 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid is CCc1cc2c(s1)C(N)(C(=O)O)CC2.
What is the InChIKey of 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The InChIKey is PWNYXOXTHULFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-7-5-6-3-4-10(11,9(12)13)8(6)14-7/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid is sourced from PubChem (CID 83909638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).