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

C7H14ClNO2 — CID 90411221

IUPAC3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCN(C)C1CC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8(2)6-3-5(4-6)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyWWOUVETXAVLUGJ-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds2

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

3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 90411221) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID90411221
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCN(C)C1CC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8(2)6-3-5(4-6)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyWWOUVETXAVLUGJ-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Rac-(1s,3s)-3-(pyrrolidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 154878787
3-(3-Fluoroazetidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 177800028
3-(Dimethylamino)cyclobutane-1-carboxylic acid
CID 68016738
3-(Pyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 105434110
4-(Dimethylamino)pentanoic acid
CID 18442969
3-(Methylamino)cyclobutane-1-carboxylic acid
CID 68320362
3-(N-methylacetamido)cyclobutane-1-carboxylic acid
CID 69261995
3-[Methoxy(methyl)amino]cyclobutane-1-carboxylic acid
CID 88874127
Methyl 3-(dimethylamino)cyclobutanecarboxylate
CID 90410277
4-[Ethyl(methyl)amino]-2-methylpentanoic acid
CID 90929569
4-(Dimethylamino)-2-methylpentanoic acid
CID 91296986
4-Carboxypentan-2-yl-dimethyl-(4-methylpentan-2-yl)azanium
CID 122499423

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride (CID 90411221) is 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride is CN(C)C1CC(C(=O)O)C1.Cl.
What is the InChIKey of 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is WWOUVETXAVLUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8(2)6-3-5(4-6)7(9)10;/h5-6H,3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride?
3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 90411221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).