4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid

C10H17NO6S — CID 66239876

IUPAC4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H17NO6S/c12-10(13)8-4-16-5-9(8)11-18(14,15)6-7-2-1-3-17-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyVLZIDBNRUZEJPP-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.82
Rot. Bonds5

About 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid

4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 66239876) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID66239876
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H17NO6S/c12-10(13)8-4-16-5-9(8)11-18(14,15)6-7-2-1-3-17-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyVLZIDBNRUZEJPP-UHFFFAOYSA-N
XLogP-0.82
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
CID 129461852
4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
CID 66238477
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120663977
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
(3S,4S)-4-methyl-1-(oxan-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122104081

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid (CID 66239876) is 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid is O=C(O)C1COCC1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is VLZIDBNRUZEJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c12-10(13)8-4-16-5-9(8)11-18(14,15)6-7-2-1-3-17-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid?
4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66239876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).