2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid

C9H15NO6S — CID 43186071

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO6S/c1-7(9(12)13)17(14,15)6-8(11)10-2-4-16-5-3-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNQVOZYHJEFYPPT-UHFFFAOYSA-N
MW265.29 g/mol
LogP-1.27
Rot. Bonds4

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid

2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid (PubChem CID 43186071) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
PubChem CID43186071
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO6S/c1-7(9(12)13)17(14,15)6-8(11)10-2-4-16-5-3-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyNQVOZYHJEFYPPT-UHFFFAOYSA-N
XLogP-1.27
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117070
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
CID 11565984
(2R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 54200282
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
CID 113139084
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoic acid
CID 64915552
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 71872134
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid (CID 43186071) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid?
The InChIKey is NQVOZYHJEFYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-7(9(12)13)17(14,15)6-8(11)10-2-4-16-5-3-10/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid?
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid has a molecular weight of 265.29 g/mol, XLogP of -1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid is sourced from PubChem (CID 43186071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).