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

C12H22N2O3 — CID 119733667

IUPACmethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
SMILESCNCC(=O)NC1(C(=O)OC)CCC(C)CC1
InChIInChI=1S/C12H22N2O3/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)
InChIKeyZGBPSQGMHFXSJM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds4

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

methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 119733667) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID119733667
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
SMILESCNCC(=O)NC1(C(=O)OC)CCC(C)CC1
InChIInChI=1S/C12H22N2O3/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)
InChIKeyZGBPSQGMHFXSJM-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119733666
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-(butan-2-ylamino)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161182
methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate
CID 47423995
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate (CID 119733667) is methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate is CNCC(=O)NC1(C(=O)OC)CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is ZGBPSQGMHFXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/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).
What are the key properties of methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 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 is sourced from PubChem (CID 119733667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).