4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid

C13H15NO4S — CID 66221178

IUPAC4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H15NO4S/c15-12(11-4-7-2-1-3-10(7)19-11)14-9-6-18-5-8(9)13(16)17/h4,8-9H,1-3,5-6H2,(H,14,15)(H,16,17)
InChIKeyCLUCBFOSYOSHHX-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.07
Rot. Bonds3

About 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid

4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66221178) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66221178
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H15NO4S/c15-12(11-4-7-2-1-3-10(7)19-11)14-9-6-18-5-8(9)13(16)17/h4,8-9H,1-3,5-6H2,(H,14,15)(H,16,17)
InChIKeyCLUCBFOSYOSHHX-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9272819
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-methylpiperidin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114694841
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222915
N-(2,6-dimethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112817285
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
N-(2-bromocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114312122
N-(2-cyanocyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 62962706
N-[2-(bromomethyl)cyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114179653
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 94867260

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid (CID 66221178) is 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1cc2c(s1)CCC2.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is CLUCBFOSYOSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-12(11-4-7-2-1-3-10(7)19-11)14-9-6-18-5-8(9)13(16)17/h4,8-9H,1-3,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid?
4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66221178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).