3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid

C9H16N2O6S — CID 83106311

IUPAC3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
SMILESCNC(=O)C1COCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O6S/c1-10-9(14)7-6-17-4-3-11(7)18(15,16)5-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeySDEKFGBXFSEPTK-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.76
Rot. Bonds5

About 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid

3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid (PubChem CID 83106311) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
PubChem CID83106311
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
SMILESCNC(=O)C1COCCN1S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O6S/c1-10-9(14)7-6-17-4-3-11(7)18(15,16)5-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeySDEKFGBXFSEPTK-UHFFFAOYSA-N
XLogP-1.76
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide
CID 83103776
4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83103393
3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104295
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83096974
3-(2-carbamoylazetidin-1-yl)sulfonylpropanoic acid
CID 165493041

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid (CID 83106311) is 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid is CNC(=O)C1COCCN1S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid?
The InChIKey is SDEKFGBXFSEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-10-9(14)7-6-17-4-3-11(7)18(15,16)5-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid?
3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid has a molecular weight of 280.30 g/mol, XLogP of -1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid is sourced from PubChem (CID 83106311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).