methyl 3-aminocyclobutane-1-carboxylate;hydrochloride

C6H12ClNO2 — CID 43810936

IUPACmethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(N)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-5(7)3-4;/h4-5H,2-3,7H2,1H3;1H
InChIKeyBTPCSIFZLLWYTE-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.32
Rot. Bonds1

About methyl 3-aminocyclobutane-1-carboxylate;hydrochloride

methyl 3-aminocyclobutane-1-carboxylate;hydrochloride (PubChem CID 43810936) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl 3-aminocyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
PubChem CID43810936
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(N)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-5(7)3-4;/h4-5H,2-3,7H2,1H3;1H
InChIKeyBTPCSIFZLLWYTE-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 3-aminocyclobutane-1-carboxylate;hydrochloride (CID 43810936) is methyl 3-aminocyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-aminocyclobutane-1-carboxylate;hydrochloride is COC(=O)C1CC(N)C1.Cl.
What is the InChIKey of methyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
The InChIKey is BTPCSIFZLLWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-5(7)3-4;/h4-5H,2-3,7H2,1H3;1H.
What are the key properties of methyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
methyl 3-aminocyclobutane-1-carboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminocyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 43810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).