methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate

C13H21N3O3 — CID 103546234

IUPACmethyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(C)C1CCOC1
InChIInChI=1S/C13H21N3O3/c1-4-10-15-11(13(17)18-3)12(14)16(10)8(2)9-5-6-19-7-9/h8-9H,4-7,14H2,1-3H3
InChIKeyPVGAIAMWEDLZDU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.41
Rot. Bonds4

About methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate (PubChem CID 103546234) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
PubChem CID103546234
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(C)C1CCOC1
InChIInChI=1S/C13H21N3O3/c1-4-10-15-11(13(17)18-3)12(14)16(10)8(2)9-5-6-19-7-9/h8-9H,4-7,14H2,1-3H3
InChIKeyPVGAIAMWEDLZDU-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 5-amino-2-ethyl-1-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545065
methyl 5-amino-1-[1-(4-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103544994
methyl 5-amino-1-[1-(4-bromophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545043
methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545187
methyl 5-amino-1-[1-(3-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545026
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-2-ethyl-1-[(4-methylmorpholin-2-yl)methyl]imidazole-4-carboxylate
CID 103545735
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
CID 107420468
methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
CID 103544317

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate (CID 103546234) is methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1C(C)C1CCOC1.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is PVGAIAMWEDLZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-10-15-11(13(17)18-3)12(14)16(10)8(2)9-5-6-19-7-9/h8-9H,4-7,14H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103546234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).