2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate

C12H19N3O2 — CID 106202988

IUPAC2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESNCCn1cnc(C(=O)OCCC2CCC2)c1
InChIInChI=1S/C12H19N3O2/c13-5-6-15-8-11(14-9-15)12(16)17-7-4-10-2-1-3-10/h8-10H,1-7,13H2
InChIKeyDETXMCHEDMHJOH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds6

About 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate

2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate (PubChem CID 106202988) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
PubChem CID106202988
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESNCCn1cnc(C(=O)OCCC2CCC2)c1
InChIInChI=1S/C12H19N3O2/c13-5-6-15-8-11(14-9-15)12(16)17-7-4-10-2-1-3-10/h8-10H,1-7,13H2
InChIKeyDETXMCHEDMHJOH-UHFFFAOYSA-N
XLogP1.19
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
pentyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499310
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 106203037
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499337
methyl 1-[1-(2-aminoethyl)imidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 107496963

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The IUPAC name of 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate (CID 106202988) is 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate is NCCn1cnc(C(=O)OCCC2CCC2)c1.
What is the InChIKey of 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate?
The InChIKey is DETXMCHEDMHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-5-6-15-8-11(14-9-15)12(16)17-7-4-10-2-1-3-10/h8-10H,1-7,13H2.
What are the key properties of 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate?
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate is sourced from PubChem (CID 106202988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).