3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 134714779

IUPAC3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCl.NCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C7H11NO2.ClH/c8-4-6-1-7(2-6,3-6)5(9)10;/h1-4,8H2,(H,9,10);1H
InChIKeyQUFHHGJRYWRADR-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.62
Rot. Bonds2

About 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (PubChem CID 134714779) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
PubChem CID134714779
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCl.NCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C7H11NO2.ClH/c8-4-6-1-7(2-6,3-6)5(9)10;/h1-4,8H2,(H,9,10);1H
InChIKeyQUFHHGJRYWRADR-UHFFFAOYSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (CID 134714779) is 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is Cl.NCC12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The InChIKey is QUFHHGJRYWRADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c8-4-6-1-7(2-6,3-6)5(9)10;/h1-4,8H2,(H,9,10);1H.
What are the key properties of 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 134714779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).