methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate

C13H21N3O3 — CID 60660513

IUPACmethyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-16(9-12(18)19-2)8-11(17)15-13(10-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,17)
InChIKeySHPAHDACAALVKA-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.43
Rot. Bonds5

About methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate (PubChem CID 60660513) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
PubChem CID60660513
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H21N3O3/c1-16(9-12(18)19-2)8-11(17)15-13(10-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,17)
InChIKeySHPAHDACAALVKA-UHFFFAOYSA-N
XLogP0.43
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate 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

N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134018510
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 9136887
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate (CID 60660513) is methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is SHPAHDACAALVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(9-12(18)19-2)8-11(17)15-13(10-14)6-4-3-5-7-13/h3-9H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 267.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60660513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).