4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

C10H18N2O4S — CID 114814715

IUPAC4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4S/c1-7(2)6-11-17(15,16)12-9-4-3-8(5-9)10(13)14/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,13,14)
InChIKeySDAMBWXFYFUAQK-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.10
Rot. Bonds6

About 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 114814715) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID114814715
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4S/c1-7(2)6-11-17(15,16)12-9-4-3-8(5-9)10(13)14/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,13,14)
InChIKeySDAMBWXFYFUAQK-UHFFFAOYSA-N
XLogP0.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid
CID 2734525
4-Aminocyclopent-2-ene-1-carboxylic acid
CID 10034643
4-Amino-2-cyclopentene-1-carboxylic acid
CID 10171262
(1S,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid
CID 44361891
(1R,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
CID 7019279
4-Aminocyclopent-2-ene-1-carboxylic acid hydrochloride
CID 10171261
(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid hydrochloride
CID 12645055
(1S,4R)-4-aminocyclopent-2-enecarboxylic acid hydrochloride
CID 44828817
4-(Trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216881
4-(2,2,2-Trifluoroethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 114806571
(E,2R,5S)-5-amino-7-methyl-2-(2-methylpropyl)oct-3-enoic acid
CID 10889642
(-)-(1S,4R)-4-Amino-2-cyclopentene-1-carboxylic acid methanesulfonate
CID 15451704

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 114814715) is 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is CC(C)CNS(=O)(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is SDAMBWXFYFUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-7(2)6-11-17(15,16)12-9-4-3-8(5-9)10(13)14/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114814715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).