5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid

C9H16N2O6S — CID 102688396

IUPAC5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O6S/c10-18(15,16)5-1-4-11-8(12)6-2-3-7(17-6)9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyHRYREKSQHVLIIE-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.59
Rot. Bonds6

About 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid

5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688396) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688396
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H16N2O6S/c10-18(15,16)5-1-4-11-8(12)6-2-3-7(17-6)9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H2,10,15,16)
InChIKeyHRYREKSQHVLIIE-UHFFFAOYSA-N
XLogP-1.59
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 113361074
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
CID 102687778
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765

Frequently Asked Questions

What is the IUPAC name of 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid (CID 102688396) is 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid is NS(=O)(=O)CCCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is HRYREKSQHVLIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c10-18(15,16)5-1-4-11-8(12)6-2-3-7(17-6)9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H2,10,15,16).
What are the key properties of 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid?
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).