2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C11H20N2O4S — CID 114385411

IUPAC2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESNS(=O)(=O)CCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)4-3-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15)(H2,12,16,17)
InChIKeyDVTCGHCPZXSLBZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.01
Rot. Bonds5

About 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 114385411) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID114385411
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESNS(=O)(=O)CCN1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)4-3-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15)(H2,12,16,17)
InChIKeyDVTCGHCPZXSLBZ-UHFFFAOYSA-N
XLogP-0.01
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114473215
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[8-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103004897
2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605925

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 114385411) is 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is NS(=O)(=O)CCN1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is DVTCGHCPZXSLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c12-18(16,17)4-3-13-9-1-2-10(13)6-8(5-9)7-11(14)15/h8-10H,1-7H2,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 114385411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).