methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate

C11H19NO3S — CID 551045

IUPACmethyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)CSC
InChIInChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKeyQIDHYXZIKNWIKJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.15
Rot. Bonds4

About methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate

methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 551045) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID551045
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)CSC
InChIInChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKeyQIDHYXZIKNWIKJ-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-methyl-3-methylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 69024152
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 1-[3-(2,3-dinitrooxypropyldisulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 10180899
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
ethane;methyl 1-[3-(2,3-dinitrooxypropyldisulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 143199720
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate (CID 551045) is methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C(C)CSC.
What is the InChIKey of methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is QIDHYXZIKNWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate?
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 245.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 551045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).