ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate

C10H15N3O2 — CID 91333403

IUPACethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C2CCC2)nc1N
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)7-8(11)13-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyKHUJGFIQDSYITO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds3

About ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate

ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate (PubChem CID 91333403) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate
PubChem CID91333403
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C2CCC2)nc1N
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)7-8(11)13-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyKHUJGFIQDSYITO-UHFFFAOYSA-N
XLogP1.44
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate (CID 91333403) is ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(C2CCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate?
The InChIKey is KHUJGFIQDSYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)7-8(11)13-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13).
What are the key properties of ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate?
ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-cyclobutyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 91333403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).