2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid

C10H17NO3S — CID 79015410

IUPAC2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid
SMILESCC(C)(SCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-10(2,9(13)14)15-7-8(12)11-5-3-4-6-11/h3-7H2,1-2H3,(H,13,14)
InChIKeyXQHNEFLYYRGMCY-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.21
Rot. Bonds4

About 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid

2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid (PubChem CID 79015410) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid
PubChem CID79015410
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid
SMILESCC(C)(SCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-10(2,9(13)14)15-7-8(12)11-5-3-4-6-11/h3-7H2,1-2H3,(H,13,14)
InChIKeyXQHNEFLYYRGMCY-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
2-methyl-2-(methylamino)-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbutanoic acid
CID 114236135
2-tert-butylsulfanyl-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406310
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
2-methyl-2-(5-oxo-5-piperidin-1-ylpentyl)propanedioic acid
CID 67908804
4-hydroxy-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 178086217
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891
2-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43176433
2-(3-methylbutylsulfanyl)-1-piperidin-1-ylethanone
CID 146333641
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid (CID 79015410) is 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid is CC(C)(SCC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid?
The InChIKey is XQHNEFLYYRGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-10(2,9(13)14)15-7-8(12)11-5-3-4-6-11/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid?
2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid has a molecular weight of 231.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid is sourced from PubChem (CID 79015410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).