tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride

C10H20ClNO2 — CID 155822576

IUPACtert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CC(CN)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3;1H
InChIKeyJCQBPNWGVNJOBF-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride

tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride (PubChem CID 155822576) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
PubChem CID155822576
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nametert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CC(CN)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3;1H
InChIKeyJCQBPNWGVNJOBF-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 2-(aminomethyl)-4-methylpentanoate
CID 58278370
cis-tert-Butyl 3-aminocyclobutanecarboxylate hydrochloride
CID 71607404
Tert-butyl 5-aminopentanoate hydrochloride
CID 71757718
Methyl 3-(aminomethyl)cyclobutanecarboxylate hydrochloride
CID 86222900
Rac-methyl (1s,3s)-3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate hydrochloride
CID 138040148
Tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate
CID 146082151
Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
rac-tert-butyl(1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylatehydrochloride
CID 165671925
Tert-butyl 5-aminopentanoate
CID 10607312
Methyl 3-(aminomethyl)cyclobutane-1-carboxylate
CID 86222901
Tert-butyl 5-amino-4-(trifluoromethyl)pentanoate
CID 137942527
Tert-butyl 5-amino-2-(trifluoromethyl)pentanoate
CID 165891853

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride (CID 155822576) is tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)C1CC(CN)C1.Cl.
What is the InChIKey of tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The InChIKey is JCQBPNWGVNJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3;1H.
What are the key properties of tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 155822576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).