ethyl 2-amino-1H-imidazole-5-carboxylate

C6H9N3O2 — CID 573233

IUPACethyl 2-amino-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyNGJGNTZJCFFZLK-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.17
Rot. Bonds2

About ethyl 2-amino-1H-imidazole-5-carboxylate

ethyl 2-amino-1H-imidazole-5-carboxylate (PubChem CID 573233) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is ethyl 2-amino-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1H-imidazole-5-carboxylate
PubChem CID573233
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameethyl 2-amino-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H3,7,8,9)
InChIKeyNGJGNTZJCFFZLK-UHFFFAOYSA-N
XLogP0.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-4-carboxylic acid
CID 14080
Methyl 1H-imidazole-5-carboxylate
CID 565661
Ethyl 4-methyl-5-imidazolcarboxylate
CID 99200
2-methyl-1H-imidazole-4-carboxylic acid
CID 73824
Ethyl 4(5)-imidazolecarboxylate
CID 99170
methyl 5-amino-1H-imidazole-4-carboxylate
CID 266758
ethyl 4-amino-1H-imidazole-5-carboxylate
CID 343359
Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
2-Amino-1H-imidazole-5-carboxylic acid
CID 541782
ethyl 2-methyl-1H-imidazole-4-carboxylate
CID 572715
1,3-Dimethylimidazolium-4-carboxylate
CID 479951
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-1H-imidazole-5-carboxylate (CID 573233) is ethyl 2-amino-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(N)[nH]1.
What is the InChIKey of ethyl 2-amino-1H-imidazole-5-carboxylate?
The InChIKey is NGJGNTZJCFFZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H3,7,8,9).
What are the key properties of ethyl 2-amino-1H-imidazole-5-carboxylate?
ethyl 2-amino-1H-imidazole-5-carboxylate has a molecular weight of 155.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1H-imidazole-5-carboxylate is sourced from PubChem (CID 573233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).