ethyl 5-amino-1-butylimidazole-4-carboxylate

C10H17N3O2 — CID 7230647

IUPACethyl 5-amino-1-butylimidazole-4-carboxylate
SMILESCCCCn1cnc(C(=O)OCC)c1N
InChIInChI=1S/C10H17N3O2/c1-3-5-6-13-7-12-8(9(13)11)10(14)15-4-2/h7H,3-6,11H2,1-2H3
InChIKeyAZIDCDUNRORGQS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.44
Rot. Bonds5

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

ethyl 5-amino-1-butylimidazole-4-carboxylate (PubChem CID 7230647) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-amino-1-butylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-butylimidazole-4-carboxylate
PubChem CID7230647
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 5-amino-1-butylimidazole-4-carboxylate
SMILESCCCCn1cnc(C(=O)OCC)c1N
InChIInChI=1S/C10H17N3O2/c1-3-5-6-13-7-12-8(9(13)11)10(14)15-4-2/h7H,3-6,11H2,1-2H3
InChIKeyAZIDCDUNRORGQS-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1H-imidazole-4-carboxylate
CID 266758
ethyl 4-amino-1H-imidazole-5-carboxylate
CID 343359
diethyl 4-amino-1H-imidazole-2,5-dicarboxylate
CID 660541
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-[(aminocarbonyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 5303299
Ethyl 2-Hydroxyimidazo[1,5-A]Pyrimidine-8-Carboxylate
CID 10655927
5-Amino-1-[1-(1-hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid ethyl ester
CID 14888739
ethyl 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxylate
CID 263946
5(33Dime-1-triazeno)imdazl-4-cooet
CID 135509517
ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 5200330

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-butylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-butylimidazole-4-carboxylate (CID 7230647) is ethyl 5-amino-1-butylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-butylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-butylimidazole-4-carboxylate is CCCCn1cnc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 5-amino-1-butylimidazole-4-carboxylate?
The InChIKey is AZIDCDUNRORGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-6-13-7-12-8(9(13)11)10(14)15-4-2/h7H,3-6,11H2,1-2H3.
What are the key properties of ethyl 5-amino-1-butylimidazole-4-carboxylate?
ethyl 5-amino-1-butylimidazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-butylimidazole-4-carboxylate is sourced from PubChem (CID 7230647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).