methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride

C10H18ClNO2 — CID 155820585

IUPACmethyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(C2(N)CCC2)CCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-8(12)9(4-2-5-9)10(11)6-3-7-10;/h2-7,11H2,1H3;1H
InChIKeyLCSJZBWUXOMSNB-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.63
Rot. Bonds2

About methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride

methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride (PubChem CID 155820585) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride
PubChem CID155820585
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(C2(N)CCC2)CCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-8(12)9(4-2-5-9)10(11)6-3-7-10;/h2-7,11H2,1H3;1H
InChIKeyLCSJZBWUXOMSNB-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride (CID 155820585) is methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride is COC(=O)C1(C2(N)CCC2)CCC1.Cl.
What is the InChIKey of methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride?
The InChIKey is LCSJZBWUXOMSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-13-8(12)9(4-2-5-9)10(11)6-3-7-10;/h2-7,11H2,1H3;1H.
What are the key properties of methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride?
methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-aminocyclobutyl)cyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 155820585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).