3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride

C6H10ClN3O2 — CID 122163646

IUPAC3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride
SMILESCl.NCCn1cncc1C(=O)O
InChIInChI=1S/C6H9N3O2.ClH/c7-1-2-9-4-8-3-5(9)6(10)11;/h3-4H,1-2,7H2,(H,10,11);1H
InChIKeyQDNYWVAASIVEFT-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.04
Rot. Bonds3

About 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride

3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride (PubChem CID 122163646) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride
PubChem CID122163646
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride
SMILESCl.NCCn1cncc1C(=O)O
InChIInChI=1S/C6H9N3O2.ClH/c7-1-2-9-4-8-3-5(9)6(10)11;/h3-4H,1-2,7H2,(H,10,11);1H
InChIKeyQDNYWVAASIVEFT-UHFFFAOYSA-N
XLogP-0.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride (CID 122163646) is 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride is Cl.NCCn1cncc1C(=O)O.
What is the InChIKey of 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride?
The InChIKey is QDNYWVAASIVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-1-2-9-4-8-3-5(9)6(10)11;/h3-4H,1-2,7H2,(H,10,11);1H.
What are the key properties of 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride?
3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 122163646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).