3-(2-morpholin-4-ylethylsulfinyl)propanoic acid

C9H17NO4S — CID 60982979

IUPAC3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
SMILESO=C(O)CCS(=O)CCN1CCOCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)1-7-15(13)8-4-10-2-5-14-6-3-10/h1-8H2,(H,11,12)
InChIKeyCYGLVRNINVYBBY-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.46
Rot. Bonds6

About 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid

3-(2-morpholin-4-ylethylsulfinyl)propanoic acid (PubChem CID 60982979) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
PubChem CID60982979
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
SMILESO=C(O)CCS(=O)CCN1CCOCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)1-7-15(13)8-4-10-2-5-14-6-3-10/h1-8H2,(H,11,12)
InChIKeyCYGLVRNINVYBBY-UHFFFAOYSA-N
XLogP-0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
CID 61494245
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
3-methyl-2-(2-morpholin-4-ylethylsulfinyl)butanoic acid
CID 105355961
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
3-morpholin-4-ylpropanoyl chloride
CID 18967893
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid?
The IUPAC name of 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid (CID 60982979) is 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid is O=C(O)CCS(=O)CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid?
The InChIKey is CYGLVRNINVYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9(12)1-7-15(13)8-4-10-2-5-14-6-3-10/h1-8H2,(H,11,12).
What are the key properties of 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid?
3-(2-morpholin-4-ylethylsulfinyl)propanoic acid has a molecular weight of 235.30 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylsulfinyl)propanoic acid is sourced from PubChem (CID 60982979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).