2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid

C10H19NO5S — CID 115427404

IUPAC2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
SMILESCC(C)(CNS(=O)(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,9(12)13)7-11-17(14,15)8-3-5-16-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyKTQFAGDAEJFIBQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.20
Rot. Bonds5

About 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid

2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid (PubChem CID 115427404) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
PubChem CID115427404
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
SMILESCC(C)(CNS(=O)(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-10(2,9(12)13)7-11-17(14,15)8-3-5-16-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyKTQFAGDAEJFIBQ-UHFFFAOYSA-N
XLogP0.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437
N-tert-butyloxane-4-sulfonamide
CID 63239343
N-phenacyloxane-4-sulfonamide
CID 64994557
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid (CID 115427404) is 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid is CC(C)(CNS(=O)(=O)C1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
The InChIKey is KTQFAGDAEJFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,9(12)13)7-11-17(14,15)8-3-5-16-6-4-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid?
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 115427404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).