3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid

C10H21NO5S — CID 79594198

IUPAC3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(2)16-5-6-17(14,15)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyFODHUFCYEHELJU-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.58
Rot. Bonds8

About 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid

3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid (PubChem CID 79594198) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
PubChem CID79594198
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H21NO5S/c1-8(2)16-5-6-17(14,15)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyFODHUFCYEHELJU-UHFFFAOYSA-N
XLogP0.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594289
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
3-methyl-3-(propan-2-ylsulfonylamino)butanoic acid
CID 64701537
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid (CID 79594198) is 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid is CC(C)OCCS(=O)(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
The InChIKey is FODHUFCYEHELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-8(2)16-5-6-17(14,15)11-10(3,4)7-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid?
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid is sourced from PubChem (CID 79594198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).