3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 138040841

IUPAC3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride
SMILESCOC1(CN)CC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(4-8)2-5(3-7)6(9)10;/h5H,2-4,8H2,1H3,(H,9,10);1H
InChIKeySOKAPMUENDMBNG-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.25
Rot. Bonds3

About 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride

3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 138040841) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride
PubChem CID138040841
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride
SMILESCOC1(CN)CC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-7(4-8)2-5(3-7)6(9)10;/h5H,2-4,8H2,1H3,(H,9,10);1H
InChIKeySOKAPMUENDMBNG-UHFFFAOYSA-N
XLogP0.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride (CID 138040841) is 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride is COC1(CN)CC(C(=O)O)C1.Cl.
What is the InChIKey of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is SOKAPMUENDMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-7(4-8)2-5(3-7)6(9)10;/h5H,2-4,8H2,1H3,(H,9,10);1H.
What are the key properties of 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride?
3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 138040841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).