4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid

C9H17NO5S — CID 107215708

IUPAC4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
SMILESCCC1(O)CN(S(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C9H17NO5S/c1-2-9(13)6-10(7-9)16(14,15)5-3-4-8(11)12/h13H,2-7H2,1H3,(H,11,12)
InChIKeyVZZVLFUIDZKEQF-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.36
Rot. Bonds6

About 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid

4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid (PubChem CID 107215708) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
PubChem CID107215708
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid
SMILESCCC1(O)CN(S(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C9H17NO5S/c1-2-9(13)6-10(7-9)16(14,15)5-3-4-8(11)12/h13H,2-7H2,1H3,(H,11,12)
InChIKeyVZZVLFUIDZKEQF-UHFFFAOYSA-N
XLogP-0.36
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic 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

4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
CID 107858937
4-[(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylmethyl]benzoic acid
CID 107215693
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
4-(4-methoxycarbonylpiperazin-1-yl)sulfonylbutanoic acid
CID 54916113
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbutanoic acid
CID 60950984
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43501356
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid
CID 146134219
4-(3-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 43503064

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid (CID 107215708) is 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid is CCC1(O)CN(S(=O)(=O)CCCC(=O)O)C1.
What is the InChIKey of 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid?
The InChIKey is VZZVLFUIDZKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-2-9(13)6-10(7-9)16(14,15)5-3-4-8(11)12/h13H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid?
4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 107215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).