4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid

C11H18N2O6S — CID 43111039

IUPAC4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid
SMILESCS(=O)(=O)CCC(NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-20(18,19)6-4-8(11(16)17)12-9(14)7-13-5-2-3-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyUZKBOIIXZLXJRC-UHFFFAOYSA-N
MW306.34 g/mol
LogP-1.39
Rot. Bonds7

About 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid

4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43111039) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43111039
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid
SMILESCS(=O)(=O)CCC(NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-20(18,19)6-4-8(11(16)17)12-9(14)7-13-5-2-3-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyUZKBOIIXZLXJRC-UHFFFAOYSA-N
XLogP-1.39
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid (CID 43111039) is 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid is CS(=O)(=O)CCC(NC(=O)CN1CCCC1=O)C(=O)O.
What is the InChIKey of 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is UZKBOIIXZLXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-20(18,19)6-4-8(11(16)17)12-9(14)7-13-5-2-3-10(13)15/h8H,2-7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid?
4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 306.34 g/mol, XLogP of -1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43111039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).