methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate

C13H21N3O2 — CID 103545771

IUPACmethyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C2CCCC2(C)C)c1N
InChIInChI=1S/C13H21N3O2/c1-8-15-10(12(17)18-4)11(14)16(8)9-6-5-7-13(9,2)3/h9H,5-7,14H2,1-4H3
InChIKeyNMADQUCSIFPTOC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.31
Rot. Bonds2

About methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate (PubChem CID 103545771) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate
PubChem CID103545771
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C2CCCC2(C)C)c1N
InChIInChI=1S/C13H21N3O2/c1-8-15-10(12(17)18-4)11(14)16(8)9-6-5-7-13(9,2)3/h9H,5-7,14H2,1-4H3
InChIKeyNMADQUCSIFPTOC-UHFFFAOYSA-N
XLogP2.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-methyl-1-(3-methylcyclopentyl)imidazole-4-carboxylate
CID 103546279
methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
CID 103545632
methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate
CID 103545937
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
3-(2,2-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322489
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
CID 103545225
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104
ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669405
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
CID 79871951

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate (CID 103545771) is methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(C2CCCC2(C)C)c1N.
What is the InChIKey of methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate?
The InChIKey is NMADQUCSIFPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-15-10(12(17)18-4)11(14)16(8)9-6-5-7-13(9,2)3/h9H,5-7,14H2,1-4H3.
What are the key properties of methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).