4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid

C12H20N2O5S — CID 79208504

IUPAC4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O5S/c1-3-6-20(18,19)14-8(2)11(15)13-10-5-4-9(7-10)12(16)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMKIZETJWLDTGGN-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.15
Rot. Bonds7

About 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid

4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208504) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79208504
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O5S/c1-3-6-20(18,19)14-8(2)11(15)13-10-5-4-9(7-10)12(16)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMKIZETJWLDTGGN-UHFFFAOYSA-N
XLogP-0.15
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-6-methylsulfonylhex-5-enoic acid
CID 134322729
4-[(4-Methylsulfonylpiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191186
4-[[2-(Methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191339
4-[(1-Methylsulfonylpiperidine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192389
4-[(1-Methylsulfonylpiperidine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192393
4-[(1-Methylsulfonylpiperidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192669
4-[[2-(Methanesulfonamido)-4-methylpentanoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192679
2-[(4-Aminocyclopent-2-ene-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 79207116
4-(2-Aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208532
4-[[(2S)-2-aminobutanoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79208533
4-[[2-[Acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79208873
4-(3-Methylsulfonylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208890

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79208504) is 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is MKIZETJWLDTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-3-6-20(18,19)14-8(2)11(15)13-10-5-4-9(7-10)12(16)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylsulfonylamino)propanoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).