3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid

C8H15NO5S — CID 64888098

IUPAC3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESCC(C)S(=O)(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C8H15NO5S/c1-6(2)15(12,13)9-8(7(10)11)3-4-14-5-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyPBUCEQSRDFLTEF-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.44
Rot. Bonds4

About 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid

3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 64888098) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID64888098
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESCC(C)S(=O)(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C8H15NO5S/c1-6(2)15(12,13)9-8(7(10)11)3-4-14-5-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyPBUCEQSRDFLTEF-UHFFFAOYSA-N
XLogP-0.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-(methylphosphanylamino)oxolane-3-carboxylic acid
CID 89260571
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073
(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 129371860
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
3-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79864967
4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
CID 114462947
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid (CID 64888098) is 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid is CC(C)S(=O)(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is PBUCEQSRDFLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6(2)15(12,13)9-8(7(10)11)3-4-14-5-8/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid?
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64888098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).