ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate

C12H20N4O2 — CID 55102206

IUPACethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCN2CCCC2)c1N
InChIInChI=1S/C12H20N4O2/c1-2-18-12(17)10-11(13)16(9-14-10)8-7-15-5-3-4-6-15/h9H,2-8,13H2,1H3
InChIKeyIJOWXZDXBASWTL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.74
Rot. Bonds5

About ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate

ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate (PubChem CID 55102206) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
PubChem CID55102206
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCN2CCCC2)c1N
InChIInChI=1S/C12H20N4O2/c1-2-18-12(17)10-11(13)16(9-14-10)8-7-15-5-3-4-6-15/h9H,2-8,13H2,1H3
InChIKeyIJOWXZDXBASWTL-UHFFFAOYSA-N
XLogP0.74
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate (CID 55102206) is ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(CCN2CCCC2)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate?
The InChIKey is IJOWXZDXBASWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-18-12(17)10-11(13)16(9-14-10)8-7-15-5-3-4-6-15/h9H,2-8,13H2,1H3.
What are the key properties of ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate?
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 55102206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).