ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride

C7H12ClN3O2 — CID 22349687

IUPACethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(N)cn1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H
InChIKeyCQRVNNMJJDJXPE-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.60
Rot. Bonds2

About ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride

ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride (PubChem CID 22349687) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
PubChem CID22349687
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Nameethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(N)cn1C.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H
InChIKeyCQRVNNMJJDJXPE-UHFFFAOYSA-N
XLogP0.60
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride (CID 22349687) is ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride is CCOC(=O)c1nc(N)cn1C.Cl.
What is the InChIKey of ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride?
The InChIKey is CQRVNNMJJDJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H.
What are the key properties of ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride?
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 22349687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).