(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid

C11H22N2O5S — CID 79010860

IUPAC(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC1CN(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C11H22N2O5S/c1-7(2)10(11(14)15)12-19(16,17)13-5-8(3)18-9(4)6-13/h7-10,12H,5-6H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyCALCYWVZILPWOK-UDNWOFFPSA-N
MW294.37 g/mol
LogP0.04
Rot. Bonds5

About (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 79010860) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID79010860
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC1CN(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C11H22N2O5S/c1-7(2)10(11(14)15)12-19(16,17)13-5-8(3)18-9(4)6-13/h7-10,12H,5-6H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyCALCYWVZILPWOK-UDNWOFFPSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid (CID 79010860) is (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid is CC1CN(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)CC(C)O1.
What is the InChIKey of (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is CALCYWVZILPWOK-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-7(2)10(11(14)15)12-19(16,17)13-5-8(3)18-9(4)6-13/h7-10,12H,5-6H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79010860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).