3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid

C10H19NO5S — CID 22910321

IUPAC3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid
SMILESCC(C)C(CS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(2)9(10(12)13)7-17(14,15)11-3-5-16-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyIIDLBWJNNJKFFP-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.01
Rot. Bonds5

About 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid

3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid (PubChem CID 22910321) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid
PubChem CID22910321
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid
SMILESCC(C)C(CS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(2)9(10(12)13)7-17(14,15)11-3-5-16-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyIIDLBWJNNJKFFP-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid?
The IUPAC name of 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid (CID 22910321) is 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid?
The canonical SMILES for 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid is CC(C)C(CS(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid?
The InChIKey is IIDLBWJNNJKFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(2)9(10(12)13)7-17(14,15)11-3-5-16-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid?
3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(morpholin-4-ylsulfonylmethyl)butanoic acid is sourced from PubChem (CID 22910321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).