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

C8H15NO3 — CID 138040149

IUPACmethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(CN)(OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7(10)6-3-8(4-6,5-9)12-2/h6H,3-5,9H2,1-2H3
InChIKeyCKNMOTNQPVJKTD-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.09
Rot. Bonds3

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

methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate (PubChem CID 138040149) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
PubChem CID138040149
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(CN)(OC)C1
InChIInChI=1S/C8H15NO3/c1-11-7(10)6-3-8(4-6,5-9)12-2/h6H,3-5,9H2,1-2H3
InChIKeyCKNMOTNQPVJKTD-UHFFFAOYSA-N
XLogP-0.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rac-methyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate hydrochloride
CID 138040148
Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
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
3-(Aminomethyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 145906137
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?
The IUPAC name of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate (CID 138040149) is methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate is COC(=O)C1CC(CN)(OC)C1.
What is the InChIKey of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate?
The InChIKey is CKNMOTNQPVJKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7(10)6-3-8(4-6,5-9)12-2/h6H,3-5,9H2,1-2H3.
What are the key properties of methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate?
methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 138040149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).