(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid

C10H19NO5S — CID 79011082

IUPAC(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-7(2)9(10(12)13)11-17(14,15)6-8-4-3-5-16-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyXSPNBNPMIVCTRI-YGPZHTELSA-N
MW265.33 g/mol
LogP0.19
Rot. Bonds6

About (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid

(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid (PubChem CID 79011082) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
PubChem CID79011082
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-7(2)9(10(12)13)11-17(14,15)6-8-4-3-5-16-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyXSPNBNPMIVCTRI-YGPZHTELSA-N
XLogP0.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
4-amino-4-oxo-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 63246428
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
2-methyl-3-(oxolan-2-ylmethylsulfonyl)butanoic acid
CID 106493648
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
3-cyclobutyl-2-(oxan-2-ylmethylsulfonylamino)propanoic acid
CID 146127666
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
2-[(2,2-difluorocyclopentyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067771

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid (CID 79011082) is (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid is CC(C)[C@@H](NS(=O)(=O)CC1CCCO1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid?
The InChIKey is XSPNBNPMIVCTRI-YGPZHTELSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-7(2)9(10(12)13)11-17(14,15)6-8-4-3-5-16-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid?
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid is sourced from PubChem (CID 79011082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).