methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride

C8H16ClNO3 — CID 138040148

IUPACmethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(CN)(OC)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-7(10)6-3-8(4-6,5-9)12-2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyQUXLBRSCMIXCBY-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.34
Rot. Bonds3

About methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride

methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride (PubChem CID 138040148) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride
PubChem CID138040148
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(CN)(OC)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-7(10)6-3-8(4-6,5-9)12-2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyQUXLBRSCMIXCBY-UHFFFAOYSA-N
XLogP0.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
Tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
CID 155822576
Methyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
CID 138040149
Methyl 5-amino-4-methoxy-4-methylpentanoate
CID 58426741
3-(Aminomethyl)-3-methoxycyclobutane-1-carboxylic acid;hydrochloride
CID 138040841
(1s,3s)-3-(Aminomethyl)-3-methoxycyclobutane-1-carboxylic acid
CID 138040842
Ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride
CID 139016608
Ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 139016609
Tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate
CID 155822577
Tert-butyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
CID 165886883
Ethyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
CID 165890507
Methyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 165892932

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride (CID 138040148) is methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride is COC(=O)C1CC(CN)(OC)C1.Cl.
What is the InChIKey of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride?
The InChIKey is QUXLBRSCMIXCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-11-7(10)6-3-8(4-6,5-9)12-2;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride?
methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 138040148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).