ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate

C12H18N4O3 — CID 79401168

IUPACethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCC(=O)NC2CC2)c1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-11(13)16(7-14-10)6-5-9(17)15-8-3-4-8/h7-8H,2-6,13H2,1H3,(H,15,17)
InChIKeyOAGDRTBJRSTTFD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.31
Rot. Bonds6

About ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate

ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate (PubChem CID 79401168) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
PubChem CID79401168
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCC(=O)NC2CC2)c1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-11(13)16(7-14-10)6-5-9(17)15-8-3-4-8/h7-8H,2-6,13H2,1H3,(H,15,17)
InChIKeyOAGDRTBJRSTTFD-UHFFFAOYSA-N
XLogP0.31
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate (CID 79401168) is ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCC(=O)NC2CC2)c1N.
What is the InChIKey of ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate?
The InChIKey is OAGDRTBJRSTTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)10-11(13)16(7-14-10)6-5-9(17)15-8-3-4-8/h7-8H,2-6,13H2,1H3,(H,15,17).
What are the key properties of ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate is sourced from PubChem (CID 79401168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).