ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate

C9H13N3O2 — CID 150211347

IUPACethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C1CNC1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-3-4-12(8)7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3
InChIKeyFRNZTYYAAIFMBQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.20
Rot. Bonds3

About ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate

ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate (PubChem CID 150211347) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
PubChem CID150211347
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C1CNC1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-3-4-12(8)7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3
InChIKeyFRNZTYYAAIFMBQ-UHFFFAOYSA-N
XLogP0.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl imidazole-1,2-dicarboxylate
CID 23185165
ethyl 1-tert-butylimidazole-2-carboxylate
CID 132990489
ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate
CID 22903637
ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136839792
ethyl 1-(methylsulfonylmethyl)imidazole-2-carboxylate
CID 151215685
ethyl 1-(7-chloro-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate
CID 22903618
ethyl 4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16587940
ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
CID 63105364
ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazole-2-carboxylate
CID 178080165
ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
CID 177061168
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
1-(azetidin-3-yl)-2-propan-2-ylimidazole
CID 62786118

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate (CID 150211347) is ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate is CCOC(=O)c1nccn1C1CNC1.
What is the InChIKey of ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate?
The InChIKey is FRNZTYYAAIFMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)8-11-3-4-12(8)7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate?
ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate is sourced from PubChem (CID 150211347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).