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

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Related Compounds

2-(2-hydroxyethylsulfinyl)-1-morpholin-4-ylethanone
CID 123101652
(2R)-2-acetamido-3-[2-(azepan-1-yl)-2-oxoethyl]sulfinylpropanoic acid
CID 107775508
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
3-[tert-butyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-methylpropanoic acid
CID 82326955
1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
CID 97223531
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbutanoic acid
CID 105355499

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).