3-methyl-4-(sulfonylamino)butanoic acid

C5H9NO4S — CID 151399477

IUPAC3-methyl-4-(sulfonylamino)butanoic acid
SMILESCC(CN=S(=O)=O)CC(=O)O
InChIInChI=1S/C5H9NO4S/c1-4(2-5(7)8)3-6-11(9)10/h4H,2-3H2,1H3,(H,7,8)
InChIKeyOWEACWFNGSDAKJ-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.16
Rot. Bonds4

About 3-methyl-4-(sulfonylamino)butanoic acid

3-methyl-4-(sulfonylamino)butanoic acid (PubChem CID 151399477) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-methyl-4-(sulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(sulfonylamino)butanoic acid
PubChem CID151399477
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name3-methyl-4-(sulfonylamino)butanoic acid
SMILESCC(CN=S(=O)=O)CC(=O)O
InChIInChI=1S/C5H9NO4S/c1-4(2-5(7)8)3-6-11(9)10/h4H,2-3H2,1H3,(H,7,8)
InChIKeyOWEACWFNGSDAKJ-UHFFFAOYSA-N
XLogP0.16
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-nitrosobutanoic acid
CID 57071585
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
3-methyl-4-methylsulfanylbutanoic acid
CID 59946362
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
3-methylbutanoic acid
CID 20849036
3-methylhexanedioic acid;dihydrobromide
CID 172737269
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(sulfonylamino)butanoic acid?
The IUPAC name of 3-methyl-4-(sulfonylamino)butanoic acid (CID 151399477) is 3-methyl-4-(sulfonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-4-(sulfonylamino)butanoic acid?
The canonical SMILES for 3-methyl-4-(sulfonylamino)butanoic acid is CC(CN=S(=O)=O)CC(=O)O.
What is the InChIKey of 3-methyl-4-(sulfonylamino)butanoic acid?
The InChIKey is OWEACWFNGSDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-4(2-5(7)8)3-6-11(9)10/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-methyl-4-(sulfonylamino)butanoic acid?
3-methyl-4-(sulfonylamino)butanoic acid has a molecular weight of 179.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(sulfonylamino)butanoic acid is sourced from PubChem (CID 151399477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).