methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride

C12H23ClN2O3 — CID 119733666

IUPACmethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCNCC(=O)NC1(C(=O)OC)CCC(C)CC1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9-4-6-12(7-5-9,11(16)17-3)14-10(15)8-13-2;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyUFITYCQJGBCBFR-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.87
Rot. Bonds4

About methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride

methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119733666) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride
PubChem CID119733666
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Namemethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCNCC(=O)NC1(C(=O)OC)CCC(C)CC1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-9-4-6-12(7-5-9,11(16)17-3)14-10(15)8-13-2;/h9,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyUFITYCQJGBCBFR-UHFFFAOYSA-N
XLogP0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
CID 119733667
methyl 4-methyl-1-[[2-(2,4,5-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 11012978
methyl 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylcyclohexane-1-carboxylate
CID 119733673
1-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161377
methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 56789284
methyl 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55979639
methyl 1-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylcyclohexane-1-carboxylate
CID 55808852
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660
methyl 4-methyl-1-(prop-2-ynylamino)cycloheptane-1-carboxylate
CID 65084798
1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735686
methyl 1-acetamido-4-aminocyclohexane-1-carboxylate;hydrochloride
CID 22362402
1-[[2-(butan-2-ylamino)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161182

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride (CID 119733666) is methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride is CNCC(=O)NC1(C(=O)OC)CCC(C)CC1.Cl.
What is the InChIKey of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is UFITYCQJGBCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-9-4-6-12(7-5-9,11(16)17-3)14-10(15)8-13-2;/h9,13H,4-8H2,1-3H3,(H,14,15);1H.
What are the key properties of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride?
methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119733666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).