[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride

C11H22ClNO2 — CID 10776156

IUPAC[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
SMILESCC1(C)CCC(C[NH3+])(CC(=O)O)CC1.[Cl-]
InChIInChI=1S/C11H21NO2.ClH/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyOYEFRZQXISXTDC-UHFFFAOYSA-N
MW235.75 g/mol
LogP-1.71
Rot. Bonds3

About [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride

[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride (PubChem CID 10776156) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride.

Molecular Properties

Compound Name[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
PubChem CID10776156
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
SMILESCC1(C)CCC(C[NH3+])(CC(=O)O)CC1.[Cl-]
InChIInChI=1S/C11H21NO2.ClH/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyOYEFRZQXISXTDC-UHFFFAOYSA-N
XLogP-1.71
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
[4-(carboxymethyl)piperidin-1-ium-4-yl]methylazanium dichloride
CID 10752863
[1-(carboxymethyl)-4-phenylcyclohexyl]methylazanium
CID 23238895
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932
[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
CID 10656622
2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
CID 80698917
1-(carboxymethyl)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 90414341
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65419694
2-[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopropyl]acetic acid
CID 65497799
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
2-[1-(3-methylbut-3-enylsulfanylmethyl)cyclopropyl]acetic acid
CID 114471353

Frequently Asked Questions

What is the IUPAC name of [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride?
The IUPAC name of [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride (CID 10776156) is [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride.
What is the SMILES notation for [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride?
The canonical SMILES for [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride is CC1(C)CCC(C[NH3+])(CC(=O)O)CC1.[Cl-].
What is the InChIKey of [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride?
The InChIKey is OYEFRZQXISXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H.
What are the key properties of [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride?
[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride has a molecular weight of 235.75 g/mol, XLogP of -1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride is sourced from PubChem (CID 10776156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).