methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate

C15H17NO5S — CID 168693353

IUPACmethyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)c1c(N2CC(C(=O)OC)CC2=O)sc2c1CCC2
InChIInChI=1S/C15H17NO5S/c1-20-14(18)8-6-11(17)16(7-8)13-12(15(19)21-2)9-4-3-5-10(9)22-13/h8H,3-7H2,1-2H3
InChIKeyOXDMKYVBDCZGJA-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.55
Rot. Bonds3

About methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693353) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693353
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Namemethyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)c1c(N2CC(C(=O)OC)CC2=O)sc2c1CCC2
InChIInChI=1S/C15H17NO5S/c1-20-14(18)8-6-11(17)16(7-8)13-12(15(19)21-2)9-4-3-5-10(9)22-13/h8H,3-7H2,1-2H3
InChIKeyOXDMKYVBDCZGJA-UHFFFAOYSA-N
XLogP1.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-methoxycarbonyl-4-methylthiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693950
methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 96999431
methyl 2-[(3aR,4S,7S,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 98273735
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
methyl 2-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 98233742
methyl 2-[(3aS,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 7106430
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4037022
methyl 1-(4-bromo-2-methoxycarbonylthiophen-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693346
methyl 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 155389572
methyl 1-(4,6-dichloro-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695406
methyl 2-(2-oxo-1,3-oxazolidin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 61353973

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 168693353) is methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)c1c(N2CC(C(=O)OC)CC2=O)sc2c1CCC2.
What is the InChIKey of methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OXDMKYVBDCZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-20-14(18)8-6-11(17)16(7-8)13-12(15(19)21-2)9-4-3-5-10(9)22-13/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).