methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate

C11H16N2O2S — CID 94948782

IUPACmethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyZHIFTMQSUNVMSW-SNVBAGLBSA-N
MW240.33 g/mol
LogP1.59
Rot. Bonds3

About methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 94948782) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID94948782
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyZHIFTMQSUNVMSW-SNVBAGLBSA-N
XLogP1.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[cyclobutyl(1,3-thiazol-5-ylmethyl)amino]propanoate
CID 99834109
methyl (2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328472
Methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771551
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
[5-[[2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 118981144
[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 130364618
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141207783
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141485080
(2S,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 156060726
Methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanoate
CID 54868546
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate
CID 54883233
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylpentanoate
CID 54883575

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 94948782) is methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1Cc1cnc(C)s1.
What is the InChIKey of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is ZHIFTMQSUNVMSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-6-9(16-8)7-13-5-3-4-10(13)11(14)15-2/h6,10H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 94948782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).