2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid

C10H17NO5S — CID 64915552

IUPAC2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid
SMILESCC(CS(=O)CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-8(10(13)14)6-17(15)7-9(12)11-2-4-16-5-3-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOMKFUDSTTKZNTB-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.69
Rot. Bonds5

About 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid

2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid (PubChem CID 64915552) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid
PubChem CID64915552
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid
SMILESCC(CS(=O)CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-8(10(13)14)6-17(15)7-9(12)11-2-4-16-5-3-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyOMKFUDSTTKZNTB-UHFFFAOYSA-N
XLogP-0.69
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid?
The IUPAC name of 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid (CID 64915552) is 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid.
What is the SMILES notation for 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid?
The canonical SMILES for 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid is CC(CS(=O)CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid?
The InChIKey is OMKFUDSTTKZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-8(10(13)14)6-17(15)7-9(12)11-2-4-16-5-3-11/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid?
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid is sourced from PubChem (CID 64915552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).