2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride

C11H20ClNO2 — CID 134128339

IUPAC2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
SMILESCl.NCC12CCC(CC(=O)O)(CC1)CC2
InChIInChI=1S/C11H19NO2.ClH/c12-8-11-4-1-10(2-5-11,3-6-11)7-9(13)14;/h1-8,12H2,(H,13,14);1H
InChIKeyWNTAQSDEZRIKPY-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride

2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride (PubChem CID 134128339) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
PubChem CID134128339
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
SMILESCl.NCC12CCC(CC(=O)O)(CC1)CC2
InChIInChI=1S/C11H19NO2.ClH/c12-8-11-4-1-10(2-5-11,3-6-11)7-9(13)14;/h1-8,12H2,(H,13,14);1H
InChIKeyWNTAQSDEZRIKPY-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
CID 45260303
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
CID 134128348
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
CID 158402337
2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
CID 57289063
2-[3-(aminomethyl)thiolan-3-yl]acetic acid
CID 66098933
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride (CID 134128339) is 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride is Cl.NCC12CCC(CC(=O)O)(CC1)CC2.
What is the InChIKey of 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride?
The InChIKey is WNTAQSDEZRIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c12-8-11-4-1-10(2-5-11,3-6-11)7-9(13)14;/h1-8,12H2,(H,13,14);1H.
What are the key properties of 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride?
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride is sourced from PubChem (CID 134128339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).