3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 73425046

IUPAC3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2.ClH/c7-3-4-1-5(2-4)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H
InChIKeyUWWJCEUHTGHYOD-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.48
Rot. Bonds2

About 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride

3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 73425046) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID73425046
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2.ClH/c7-3-4-1-5(2-4)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H
InChIKeyUWWJCEUHTGHYOD-UHFFFAOYSA-N
XLogP0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Aminovaleric acid hydrochloride
CID 69398
(1R,2R)-2-(Aminomethyl)cyclopropanecarboxylic acid hydrochloride
CID 73350704
(1S,2S)-2-(Aminomethyl)cyclopropane-1-carboxylic acid hydrochloride
CID 73349128
rac-(1R,2S)-2-(aminomethyl)cyclopropane-1-carboxylic acid hydrochloride
CID 73353674
(1R,2S)-2-Aminocyclobutanecarboxylic acid
CID 5275644
5-Amino-3-methylpentanoic acid hydrochloride
CID 71756558
5-Amino-2,2-dimethylpentanoic acid hydrochloride
CID 71757312
5-Amino-2-methylpentanoic acid hydrochloride
CID 71757391
5-Amino-4-methylpentanoic acid hydrochloride
CID 71757461
Methyl 3-(aminomethyl)cyclobutanecarboxylate hydrochloride
CID 86222900
rac-(1R,2R)-2-aminocyclobutane-1-carboxylic acid hydrochloride
CID 127263592
3-(Aminomethyl)bicyclo(1.1.1)pentane-1-carboxylic acid hydrochloride
CID 134714779

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride (CID 73425046) is 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride is Cl.NCC1CC(C(=O)O)C1.
What is the InChIKey of 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is UWWJCEUHTGHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c7-3-4-1-5(2-4)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H.
What are the key properties of 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride?
3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 73425046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).