3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid

C13H20N2O5S — CID 105354154

IUPAC3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
SMILESCC(C)C(SCC(=O)NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-8(2)12(13(19)20)21-7-10(17)14-9(16)6-15-5-3-4-11(15)18/h8,12H,3-7H2,1-2H3,(H,19,20)(H,14,16,17)
InChIKeyGLGLATURVKBBQA-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.09
Rot. Bonds7

About 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid

3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid (PubChem CID 105354154) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid.

Molecular Properties

Compound Name3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
PubChem CID105354154
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
SMILESCC(C)C(SCC(=O)NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-8(2)12(13(19)20)21-7-10(17)14-9(16)6-15-5-3-4-11(15)18/h8,12H,3-7H2,1-2H3,(H,19,20)(H,14,16,17)
InChIKeyGLGLATURVKBBQA-UHFFFAOYSA-N
XLogP0.09
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105353266
2-amino-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylpropanoic acid
CID 43440575
N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79681795
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
CID 61172549
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 60689171
N-[2-[ethyl(2-hydroxyethyl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 60686109
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81485956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid?
The IUPAC name of 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid (CID 105354154) is 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid.
What is the SMILES notation for 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid?
The canonical SMILES for 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid is CC(C)C(SCC(=O)NC(=O)CN1CCCC1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid?
The InChIKey is GLGLATURVKBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-8(2)12(13(19)20)21-7-10(17)14-9(16)6-15-5-3-4-11(15)18/h8,12H,3-7H2,1-2H3,(H,19,20)(H,14,16,17).
What are the key properties of 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid?
3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid is sourced from PubChem (CID 105354154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).