ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate

C9H15N3O3 — CID 42647387

IUPACethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOC)c1N
InChIInChI=1S/C9H15N3O3/c1-3-15-9(13)7-8(10)12(6-11-7)4-5-14-2/h6H,3-5,10H2,1-2H3
InChIKeyYCVWCYFTBRVIPP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.29
Rot. Bonds5

About ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate

ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate (PubChem CID 42647387) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate
PubChem CID42647387
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCOC)c1N
InChIInChI=1S/C9H15N3O3/c1-3-15-9(13)7-8(10)12(6-11-7)4-5-14-2/h6H,3-5,10H2,1-2H3
InChIKeyYCVWCYFTBRVIPP-UHFFFAOYSA-N
XLogP0.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
diethyl 4-amino-1H-imidazole-2,5-dicarboxylate
CID 660541
Brl 51308
CID 135443541
1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazenyl)-, methyl ester
CID 135478737
ethyl 5-amino-1-butyl-1H-imidazole-4-carboxylate
CID 7230647
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester
CID 21503744
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
CID 327546
ethyl 2-amino-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylate
CID 5200237
ethyl 2-(carbamoylamino)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 5303299

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate (CID 42647387) is ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate is CCOC(=O)c1ncn(CCOC)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate?
The InChIKey is YCVWCYFTBRVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-15-9(13)7-8(10)12(6-11-7)4-5-14-2/h6H,3-5,10H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate?
ethyl 5-amino-1-(2-methoxyethyl)imidazole-4-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 0.29, 5 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-methoxyethyl)imidazole-4-carboxylate is sourced from PubChem (CID 42647387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).