(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid

C9H16N2O5S — CID 168716442

IUPAC(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H16N2O5S/c1-5(2)8(9(13)14)11-4-6(3-7(11)12)17(10,15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14)(H2,10,15,16)/t6?,8-/m0/s1
InChIKeyUSCRUPBJDYMTBO-XDKWHASVSA-N
MW264.30 g/mol
LogP-1.01
Rot. Bonds4

About (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid

(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid (PubChem CID 168716442) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
PubChem CID168716442
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H16N2O5S/c1-5(2)8(9(13)14)11-4-6(3-7(11)12)17(10,15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14)(H2,10,15,16)/t6?,8-/m0/s1
InChIKeyUSCRUPBJDYMTBO-XDKWHASVSA-N
XLogP-1.01
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168704266
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid (CID 168716442) is (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid is CC(C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The InChIKey is USCRUPBJDYMTBO-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-5(2)8(9(13)14)11-4-6(3-7(11)12)17(10,15)16/h5-6,8H,3-4H2,1-2H3,(H,13,14)(H2,10,15,16)/t6?,8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid has a molecular weight of 264.30 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 168716442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).