methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate

C12H17NO2S — CID 11459084

IUPACmethyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](c1ccsc1)N1CCC[C@H]1C
InChIInChI=1S/C12H17NO2S/c1-9-4-3-6-13(9)11(12(14)15-2)10-5-7-16-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t9-,11-/m1/s1
InChIKeyOPKVCONGKSHHMS-MWLCHTKSSA-N
MW239.34 g/mol
LogP2.45
Rot. Bonds3

About methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate

methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate (PubChem CID 11459084) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate
PubChem CID11459084
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@@H](c1ccsc1)N1CCC[C@H]1C
InChIInChI=1S/C12H17NO2S/c1-9-4-3-6-13(9)11(12(14)15-2)10-5-7-16-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t9-,11-/m1/s1
InChIKeyOPKVCONGKSHHMS-MWLCHTKSSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate (CID 11459084) is methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate is COC(=O)[C@@H](c1ccsc1)N1CCC[C@H]1C.
What is the InChIKey of methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate?
The InChIKey is OPKVCONGKSHHMS-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-4-3-6-13(9)11(12(14)15-2)10-5-7-16-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate?
methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate has a molecular weight of 239.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-thiophen-3-ylacetate is sourced from PubChem (CID 11459084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).