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

C12H22N2O5S — CID 43360267

IUPAC1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O5S/c1-3-8-20(18,19)14-9(2)10(15)13-12(11(16)17)6-4-5-7-12/h9,14H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFKYQFKKBUOTOGT-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.22
Rot. Bonds7

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

1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43360267) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43360267
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O5S/c1-3-8-20(18,19)14-9(2)10(15)13-12(11(16)17)6-4-5-7-12/h9,14H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFKYQFKKBUOTOGT-UHFFFAOYSA-N
XLogP0.22
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-(2-methylsulfonylpropanoylamino)cyclobutane-1-carboxylic acid
CID 115910149
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 83058184
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid (CID 43360267) is 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FKYQFKKBUOTOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-3-8-20(18,19)14-9(2)10(15)13-12(11(16)17)6-4-5-7-12/h9,14H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid?
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43360267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).