4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C10H17N3O5S — CID 79215980

IUPAC4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H17N3O5S/c11-19(17,18)5-1-4-12-10(16)13-8-3-2-7(6-8)9(14)15/h2-3,7-8H,1,4-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyKXQBMMWFNHHDRN-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.01
Rot. Bonds6

About 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215980) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79215980
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H17N3O5S/c11-19(17,18)5-1-4-12-10(16)13-8-3-2-7(6-8)9(14)15/h2-3,7-8H,1,4-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyKXQBMMWFNHHDRN-UHFFFAOYSA-N
XLogP-1.01
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79215980) is 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is NS(=O)(=O)CCCNC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KXQBMMWFNHHDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c11-19(17,18)5-1-4-12-10(16)13-8-3-2-7(6-8)9(14)15/h2-3,7-8H,1,4-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16).
What are the key properties of 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of -1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-sulfamoylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).