2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid

C9H17NO5S — CID 61454982

IUPAC2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCCC1CN(S(=O)(=O)C(C)C(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-3-8-6-10(4-5-15-8)16(13,14)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAMCDWBOOPKXLHS-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds4

About 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid

2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid (PubChem CID 61454982) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid
PubChem CID61454982
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid
SMILESCCC1CN(S(=O)(=O)C(C)C(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-3-8-6-10(4-5-15-8)16(13,14)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAMCDWBOOPKXLHS-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid (CID 61454982) is 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid is CCC1CN(S(=O)(=O)C(C)C(=O)O)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid?
The InChIKey is AMCDWBOOPKXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-3-8-6-10(4-5-15-8)16(13,14)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid?
2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)sulfonylpropanoic acid is sourced from PubChem (CID 61454982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).