methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate

C12H15NO4S — CID 78945614

IUPACmethyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sccc2OC)C1
InChIInChI=1S/C12H15NO4S/c1-16-9-4-6-18-10(9)11(14)13-5-3-8(7-13)12(15)17-2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyZJKMUPPTBPCIDV-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.39
Rot. Bonds3

About methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 78945614) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
PubChem CID78945614
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sccc2OC)C1
InChIInChI=1S/C12H15NO4S/c1-16-9-4-6-18-10(9)11(14)13-5-3-8(7-13)12(15)17-2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyZJKMUPPTBPCIDV-UHFFFAOYSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209
1-(3-methoxythiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 126774157
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
methyl (1S,2R,5S)-3-(3-methoxythiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 98154061
(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121651

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate (CID 78945614) is methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2sccc2OC)C1.
What is the InChIKey of methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is ZJKMUPPTBPCIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-16-9-4-6-18-10(9)11(14)13-5-3-8(7-13)12(15)17-2/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78945614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).