3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid

C11H21NO4S — CID 105355961

IUPAC3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid
SMILESCC(C)C(C(=O)O)S(=O)CCN1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-9(2)10(11(13)14)17(15)8-5-12-3-6-16-7-4-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyKNDWQJKASXNMTH-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.18
Rot. Bonds6

About 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid

3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid (PubChem CID 105355961) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid
PubChem CID105355961
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid
SMILESCC(C)C(C(=O)O)S(=O)CCN1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-9(2)10(11(13)14)17(15)8-5-12-3-6-16-7-4-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyKNDWQJKASXNMTH-UHFFFAOYSA-N
XLogP0.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-pyrrolidin-1-ylethylsulfinyl)butanoic acid
CID 107913267
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
CID 60982979
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
2-(2,3-dimethylbutyl)-3-(2-morpholin-4-ylethyl)but-2-enedioic acid
CID 154077832
2-(2-morpholin-4-ylethyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077862

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid (CID 105355961) is 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid is CC(C)C(C(=O)O)S(=O)CCN1CCOCC1.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid?
The InChIKey is KNDWQJKASXNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)10(11(13)14)17(15)8-5-12-3-6-16-7-4-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid?
3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid is sourced from PubChem (CID 105355961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).