3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid

C13H17NO6S — CID 43314386

IUPAC3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO6S/c15-13(16)5-8-20-11-1-3-12(4-2-11)21(17,18)14-6-9-19-10-7-14/h1-4H,5-10H2,(H,15,16)
InChIKeyVHMMSVYILCFGID-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.56
Rot. Bonds6

About 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid

3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid (PubChem CID 43314386) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
PubChem CID43314386
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H17NO6S/c15-13(16)5-8-20-11-1-3-12(4-2-11)21(17,18)14-6-9-19-10-7-14/h1-4H,5-10H2,(H,15,16)
InChIKeyVHMMSVYILCFGID-UHFFFAOYSA-N
XLogP0.56
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]propanoic acid
CID 61224448
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908675
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 29142216
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid (CID 43314386) is 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid is O=C(O)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid?
The InChIKey is VHMMSVYILCFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c15-13(16)5-8-20-11-1-3-12(4-2-11)21(17,18)14-6-9-19-10-7-14/h1-4H,5-10H2,(H,15,16).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid?
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid has a molecular weight of 315.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid is sourced from PubChem (CID 43314386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).