2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid

C6H9N3O2 — CID 105430229

IUPAC2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid
SMILESCC(N)c1ncc(C(=O)O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3(7)5-8-2-4(9-5)6(10)11/h2-3H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyBIBHWMKSDXENAD-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.13
Rot. Bonds2

About 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid

2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid (PubChem CID 105430229) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid
PubChem CID105430229
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid
SMILESCC(N)c1ncc(C(=O)O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-3(7)5-8-2-4(9-5)6(10)11/h2-3H,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyBIBHWMKSDXENAD-UHFFFAOYSA-N
XLogP0.13
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylsulfonylethyl)-1H-imidazole-5-carboxylic acid
CID 116633326
2-benzhydryl-1H-imidazole-5-carboxylic acid
CID 62252830
methyl 2-(1-amino-2-methylpropyl)-1H-imidazole-5-carboxylate
CID 18934649
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-propyl-1H-imidazole-5-carboxylic acid
CID 10511057
N,N-dimethyl-2-propan-2-yl-1H-imidazole-5-carboxamide
CID 131063419
2-(sulfanylmethyl)-1H-imidazole-5-carboxylic acid
CID 117187458
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
CID 155943279
2-methylsulfinyl-1H-imidazole-5-carboxylic acid
CID 68744708
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
CID 62251177
1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 18934579

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid (CID 105430229) is 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid is CC(N)c1ncc(C(=O)O)[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is BIBHWMKSDXENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3(7)5-8-2-4(9-5)6(10)11/h2-3H,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid?
2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 105430229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).