ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate

C12H22N4O2 — CID 62640430

IUPACethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCN(C)C(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-5-18-12(17)10-11(13)16(8-14-10)7-6-15(4)9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyOPKOPQWOTWHBMO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds6

About ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate

ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate (PubChem CID 62640430) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate
PubChem CID62640430
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nameethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCN(C)C(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-5-18-12(17)10-11(13)16(8-14-10)7-6-15(4)9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyOPKOPQWOTWHBMO-UHFFFAOYSA-N
XLogP0.98
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]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

Related Compounds

ethyl 5-amino-1-(7-methyloctyl)imidazole-4-carboxylate
CID 107817907
ethyl 5-amino-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 113494231
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
CID 55102206
ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
CID 106338375
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
CID 82950243
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
ethyl 5-amino-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824460
ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 63240207
ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
CID 114516601
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465
ethyl 5-amino-1-[3-(cyclopropylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 79401168
ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate
CID 63827252

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate (CID 62640430) is ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCN(C)C(C)C)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate?
The InChIKey is OPKOPQWOTWHBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-18-12(17)10-11(13)16(8-14-10)7-6-15(4)9(2)3/h8-9H,5-7,13H2,1-4H3.
What are the key properties of ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.98, 6 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-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 62640430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).