methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate

C10H15N3O2 — CID 103546117

IUPACmethyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C2CC(C)C2)c1N
InChIInChI=1S/C10H15N3O2/c1-6-3-7(4-6)13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3
InChIKeyNSRXTBAJDSSILW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.22
Rot. Bonds2

About methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate

methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate (PubChem CID 103546117) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
PubChem CID103546117
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C2CC(C)C2)c1N
InChIInChI=1S/C10H15N3O2/c1-6-3-7(4-6)13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3
InChIKeyNSRXTBAJDSSILW-UHFFFAOYSA-N
XLogP1.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
CID 103546094
methyl 5-amino-2-methyl-1-(3-methylcyclopentyl)imidazole-4-carboxylate
CID 103546279
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
CID 103545225
methyl 5-amino-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
CID 114158767
5-amino-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]imidazole-4-carboxylic acid
CID 167721230
methyl 5-amino-1-(2,3-dimethylbutyl)imidazole-4-carboxylate
CID 103545613
methyl 5-amino-1-(2,4,5-trichlorophenyl)imidazole-4-carboxylate
CID 103544569
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
methyl 5-amino-1-(1-methylsulfinylpropan-2-yl)imidazole-4-carboxylate
CID 103546168
methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
CID 107344569
methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
CID 103545102

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate (CID 103546117) is methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate is COC(=O)c1ncn(C2CC(C)C2)c1N.
What is the InChIKey of methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate?
The InChIKey is NSRXTBAJDSSILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-3-7(4-6)13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate?
methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.22, 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-(3-methylcyclobutyl)imidazole-4-carboxylate is sourced from PubChem (CID 103546117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).