methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate

C10H15N3O2 — CID 103546094

IUPACmethyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CC2CC2C)c1N
InChIInChI=1S/C10H15N3O2/c1-6-3-7(6)4-13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3
InChIKeyNZYXPFYEROBESL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.91
Rot. Bonds3

About methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate

methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate (PubChem CID 103546094) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
PubChem CID103546094
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(CC2CC2C)c1N
InChIInChI=1S/C10H15N3O2/c1-6-3-7(6)4-13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3
InChIKeyNZYXPFYEROBESL-UHFFFAOYSA-N
XLogP0.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
CID 103546117
methyl 5-amino-1-(2,3-dimethylbutyl)imidazole-4-carboxylate
CID 103545613
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
methyl 5-amino-1-(2-piperidin-1-ylpropyl)imidazole-4-carboxylate
CID 103545212
methyl 5-amino-1-(2-methyl-3-methylsulfanylpropyl)imidazole-4-carboxylate
CID 103545538
methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 103545450
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587
methyl 5-amino-1-[3-(tert-butylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 103546039
methyl 5-amino-1-(2-phenylpropyl)imidazole-4-carboxylate
CID 103546066
methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
methyl 5-amino-1-[2-(2,2-difluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114128436

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate (CID 103546094) is methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate is COC(=O)c1ncn(CC2CC2C)c1N.
What is the InChIKey of methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate?
The InChIKey is NZYXPFYEROBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-3-7(6)4-13-5-12-8(9(13)11)10(14)15-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate?
methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.91, 3 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-methylcyclopropyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 103546094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).