1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

C18H20N4O4S — CID 118158516

IUPAC1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1sc2c(c1-c1nc(C3CC3)no1)CCC2
InChIInChI=1S/C18H20N4O4S/c23-17(24)11-4-2-8-22(11)18(25)20-16-13(10-3-1-5-12(10)27-16)15-19-14(21-26-15)9-6-7-9/h9,11H,1-8H2,(H,20,25)(H,23,24)
InChIKeyYNDMYWRPRLWHAF-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.25
Rot. Bonds4

About 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 118158516) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID118158516
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Nc1sc2c(c1-c1nc(C3CC3)no1)CCC2
InChIInChI=1S/C18H20N4O4S/c23-17(24)11-4-2-8-22(11)18(25)20-16-13(10-3-1-5-12(10)27-16)15-19-14(21-26-15)9-6-7-9/h9,11H,1-8H2,(H,20,25)(H,23,24)
InChIKeyYNDMYWRPRLWHAF-UHFFFAOYSA-N
XLogP3.25
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 118158516) is 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1sc2c(c1-c1nc(C3CC3)no1)CCC2.
What is the InChIKey of 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YNDMYWRPRLWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-17(24)11-4-2-8-22(11)18(25)20-16-13(10-3-1-5-12(10)27-16)15-19-14(21-26-15)9-6-7-9/h9,11H,1-8H2,(H,20,25)(H,23,24).
What are the key properties of 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118158516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).