ethane;ethyl 3-aminoimidazole-4-carboxylate

C8H15N3O2 — CID 145329621

IUPACethane;ethyl 3-aminoimidazole-4-carboxylate
SMILESCC.CCOC(=O)c1cncn1N
InChIInChI=1S/C6H9N3O2.C2H6/c1-2-11-6(10)5-3-8-4-9(5)7;1-2/h3-4H,2,7H2,1H3;1-2H3
InChIKeyOKCQYCIPPYQZAJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.80
Rot. Bonds2

About ethane;ethyl 3-aminoimidazole-4-carboxylate

ethane;ethyl 3-aminoimidazole-4-carboxylate (PubChem CID 145329621) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is ethane;ethyl 3-aminoimidazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-aminoimidazole-4-carboxylate
PubChem CID145329621
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Nameethane;ethyl 3-aminoimidazole-4-carboxylate
SMILESCC.CCOC(=O)c1cncn1N
InChIInChI=1S/C6H9N3O2.C2H6/c1-2-11-6(10)5-3-8-4-9(5)7;1-2/h3-4H,2,7H2,1H3;1-2H3
InChIKeyOKCQYCIPPYQZAJ-UHFFFAOYSA-N
XLogP0.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 3-(1H-pyrazol-5-yl)imidazole-4-carboxylate
CID 142316978
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
ethyl 3-[2-(1,2-dibromopropan-2-yl)-6-methylphenyl]imidazole-4-carboxylate
CID 70416355
ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 177334567
ethyl 3-[(1R,2R)-2-aminocyclohexyl]imidazole-4-carboxylate
CID 102738938
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 3-(3H-isoindol-1-yl)imidazole-4-carboxylate
CID 159425134
ethyl 1-amino-4-methylpyrrole-2-carboxylate
CID 90069465
ethyl 3-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 138514748
ethyl 3-[(3,4,5-trimethoxyphenyl)methyl]imidazole-4-carboxylate
CID 44597526
ethyl 3-(3,4,5-trimethoxybenzoyl)imidazole-4-carboxylate
CID 44597626
ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate
CID 106996431

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-aminoimidazole-4-carboxylate?
The IUPAC name of ethane;ethyl 3-aminoimidazole-4-carboxylate (CID 145329621) is ethane;ethyl 3-aminoimidazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 3-aminoimidazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 3-aminoimidazole-4-carboxylate is CC.CCOC(=O)c1cncn1N.
What is the InChIKey of ethane;ethyl 3-aminoimidazole-4-carboxylate?
The InChIKey is OKCQYCIPPYQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.C2H6/c1-2-11-6(10)5-3-8-4-9(5)7;1-2/h3-4H,2,7H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 3-aminoimidazole-4-carboxylate?
ethane;ethyl 3-aminoimidazole-4-carboxylate has a molecular weight of 185.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-aminoimidazole-4-carboxylate is sourced from PubChem (CID 145329621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).