ethyl 5-amino-1-methylimidazole-4-carboxylate

C7H11N3O2 — CID 535900

IUPACethyl 5-amino-1-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C)c1N
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-6(8)10(2)4-9-5/h4H,3,8H2,1-2H3
InChIKeySVQAKMGJJNPCMD-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.18
Rot. Bonds2

About ethyl 5-amino-1-methylimidazole-4-carboxylate

ethyl 5-amino-1-methylimidazole-4-carboxylate (PubChem CID 535900) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 5-amino-1-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-methylimidazole-4-carboxylate
PubChem CID535900
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 5-amino-1-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C)c1N
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-6(8)10(2)4-9-5/h4H,3,8H2,1-2H3
InChIKeySVQAKMGJJNPCMD-UHFFFAOYSA-N
XLogP0.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-methylimidazole-4-carboxylate (CID 535900) is ethyl 5-amino-1-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-methylimidazole-4-carboxylate is CCOC(=O)c1ncn(C)c1N.
What is the InChIKey of ethyl 5-amino-1-methylimidazole-4-carboxylate?
The InChIKey is SVQAKMGJJNPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)5-6(8)10(2)4-9-5/h4H,3,8H2,1-2H3.
What are the key properties of ethyl 5-amino-1-methylimidazole-4-carboxylate?
ethyl 5-amino-1-methylimidazole-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-methylimidazole-4-carboxylate is sourced from PubChem (CID 535900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).