2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid

C10H18N2O6S — CID 114462754

IUPAC2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H18N2O6S/c1-2-18-9(15)11-19(16,17)12-10(7-8(13)14)5-3-4-6-10/h12H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyDQGHSFHNGMFXGI-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.35
Rot. Bonds6

About 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid

2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid (PubChem CID 114462754) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
PubChem CID114462754
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
SMILESCCOC(=O)NS(=O)(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C10H18N2O6S/c1-2-18-9(15)11-19(16,17)12-10(7-8(13)14)5-3-4-6-10/h12H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyDQGHSFHNGMFXGI-UHFFFAOYSA-N
XLogP0.35
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957
methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466954
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid (CID 114462754) is 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid is CCOC(=O)NS(=O)(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid?
The InChIKey is DQGHSFHNGMFXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-2-18-9(15)11-19(16,17)12-10(7-8(13)14)5-3-4-6-10/h12H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid?
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 114462754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).