1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid

C13H24N2O5S — CID 82765524

IUPAC1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(19,20)15-9(2)11(16)14-10-6-5-7-13(10,3)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLMZHOZXOSMAVHJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.46
Rot. Bonds7

About 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82765524) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID82765524
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(19,20)15-9(2)11(16)14-10-6-5-7-13(10,3)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyLMZHOZXOSMAVHJ-UHFFFAOYSA-N
XLogP0.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[2-(propylsulfonylamino)propanoylamino]oxolane-3-carboxylic acid
CID 66254517
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 43360267
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 104685502
1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764894
2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106341128
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid (CID 82765524) is 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LMZHOZXOSMAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-8-21(19,20)15-9(2)11(16)14-10-6-5-7-13(10,3)12(17)18/h9-10,15H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).