2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid

C12H25NO5S — CID 79594884

IUPAC2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO5S/c1-9(2)18-7-8-19(16,17)13-12(5,6)11(3,4)10(14)15/h9,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyYVLCRFIZYNEHCU-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.22
Rot. Bonds8

About 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid

2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid (PubChem CID 79594884) has the molecular formula C12H25NO5S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
PubChem CID79594884
Molecular FormulaC12H25NO5S
Molecular Weight295.40 g/mol
Exact Mass295.15
IUPAC Name2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO5S/c1-9(2)18-7-8-19(16,17)13-12(5,6)11(3,4)10(14)15/h9,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyYVLCRFIZYNEHCU-UHFFFAOYSA-N
XLogP1.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594289
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
CID 79594364
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
2,2,3-trimethyl-3-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004455
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid (CID 79594884) is 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid is CC(C)OCCS(=O)(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The InChIKey is YVLCRFIZYNEHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5S/c1-9(2)18-7-8-19(16,17)13-12(5,6)11(3,4)10(14)15/h9,13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid has a molecular weight of 295.40 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid is sourced from PubChem (CID 79594884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).