methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 118997538

IUPACmethyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12CC(CN)(C1)C2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-6(10)8-2-7(3-8,4-8)5-9;/h2-5,9H2,1H3;1H
InChIKeyHVQDRPIJUBUWEO-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.71
Rot. Bonds2

About methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride

methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride (PubChem CID 118997538) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride
PubChem CID118997538
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C12CC(CN)(C1)C2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-6(10)8-2-7(3-8,4-8)5-9;/h2-5,9H2,1H3;1H
InChIKeyHVQDRPIJUBUWEO-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride (CID 118997538) is methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride is COC(=O)C12CC(CN)(C1)C2.Cl.
What is the InChIKey of methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride?
The InChIKey is HVQDRPIJUBUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-11-6(10)8-2-7(3-8,4-8)5-9;/h2-5,9H2,1H3;1H.
What are the key properties of methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride?
methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 118997538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).