methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

C15H22N2O3S — CID 56790668

IUPACmethyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-11(13-7-5-9-21-13)16(2)14(18)10-17-8-4-6-12(17)15(19)20-3/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyCYXLJTFOFQSLPI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.90
Rot. Bonds5

About methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 56790668) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID56790668
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-11(13-7-5-9-21-13)16(2)14(18)10-17-8-4-6-12(17)15(19)20-3/h5,7,9,11-12H,4,6,8,10H2,1-3H3
InChIKeyCYXLJTFOFQSLPI-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98772070
methyl 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 84584110
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
1-[methyl(1-thiophen-2-ylethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561952
tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 80710341
(2R)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689630
(2S)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689638
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2S)-1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-2-carboxylate
CID 95627703

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 56790668) is methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)N(C)C(C)c1cccs1.
What is the InChIKey of methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is CYXLJTFOFQSLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(13-7-5-9-21-13)16(2)14(18)10-17-8-4-6-12(17)15(19)20-3/h5,7,9,11-12H,4,6,8,10H2,1-3H3.
What are the key properties of methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 56790668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).