3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid

C9H17NO5S — CID 43592599

IUPAC3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1(C)CN(S(=O)(=O)CCC(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-9(2)7-10(4-5-15-9)16(13,14)6-3-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyVENLRIBDXHDOHO-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds4

About 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid

3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 43592599) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID43592599
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCC1(C)CN(S(=O)(=O)CCC(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-9(2)7-10(4-5-15-9)16(13,14)6-3-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyVENLRIBDXHDOHO-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Morpholinylsulfonyl)propanoic acid
CID 4962731
3-Methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid
CID 22910321
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
Ethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
CID 59634217
2-Methyl-2-(morpholine-4-sulfonyl)-propionic acid
CID 59634256
Methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
CID 66939865
3-[4-(2-Acetyloxyethyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid
CID 102151748
2-Acetyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040773
2-(2,2-Dimethylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040774
3-Morpholin-4-yl-2-propanoyloxypropane-1-sulfonic acid
CID 129040779
2-(2-Methylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040780
3-Morpholin-4-yl-2-propanoyloxypropane-1-sulfonate
CID 153475364

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid (CID 43592599) is 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid is CC1(C)CN(S(=O)(=O)CCC(=O)O)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is VENLRIBDXHDOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-9(2)7-10(4-5-15-9)16(13,14)6-3-8(11)12/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid?
3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43592599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).