(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

C10H11NO3S — CID 2535790

IUPAC(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESNC(=O)COC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C10H11NO3S/c11-9(12)5-14-10(13)8-4-6-2-1-3-7(6)15-8/h4H,1-3,5H2,(H2,11,12)
InChIKeyCITLAPWGTOKOLE-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.88
Rot. Bonds3

About (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (PubChem CID 2535790) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
PubChem CID2535790
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
SMILESNC(=O)COC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C10H11NO3S/c11-9(12)5-14-10(13)8-4-6-2-1-3-7(6)15-8/h4H,1-3,5H2,(H2,11,12)
InChIKeyCITLAPWGTOKOLE-UHFFFAOYSA-N
XLogP0.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate (CID 2535790) is (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is NC(=O)COC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
The InChIKey is CITLAPWGTOKOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c11-9(12)5-14-10(13)8-4-6-2-1-3-7(6)15-8/h4H,1-3,5H2,(H2,11,12).
What are the key properties of (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate?
(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate has a molecular weight of 225.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate is sourced from PubChem (CID 2535790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).