methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate

C14H19NO3S — CID 71970210

IUPACmethyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-14(13(17)18-2)6-7-15(10-14)12(16)4-3-11-5-8-19-9-11/h5,8-9H,3-4,6-7,10H2,1-2H3
InChIKeyJFRFASZKARQKEL-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.09
Rot. Bonds4

About methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate

methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate (PubChem CID 71970210) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate
PubChem CID71970210
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-14(13(17)18-2)6-7-15(10-14)12(16)4-3-11-5-8-19-9-11/h5,8-9H,3-4,6-7,10H2,1-2H3
InChIKeyJFRFASZKARQKEL-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate (CID 71970210) is methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(C(=O)CCc2ccsc2)C1.
What is the InChIKey of methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate?
The InChIKey is JFRFASZKARQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(13(17)18-2)6-7-15(10-14)12(16)4-3-11-5-8-19-9-11/h5,8-9H,3-4,6-7,10H2,1-2H3.
What are the key properties of methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate?
methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 71970210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).