2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid

C8H13N3O2 — CID 82376148

IUPAC2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1c(C(=O)O)cnc1N(C)C
InChIInChI=1S/C8H13N3O2/c1-4-11-6(7(12)13)5-9-8(11)10(2)3/h5H,4H2,1-3H3,(H,12,13)
InChIKeyQMNXIOLFNAUNSB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.67
Rot. Bonds3

About 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid

2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid (PubChem CID 82376148) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
PubChem CID82376148
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
SMILESCCn1c(C(=O)O)cnc1N(C)C
InChIInChI=1S/C8H13N3O2/c1-4-11-6(7(12)13)5-9-8(11)10(2)3/h5H,4H2,1-3H3,(H,12,13)
InChIKeyQMNXIOLFNAUNSB-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-ethylimidazole-4-carboxylic acid
CID 83486435
2-(dimethylamino)-3-phenylimidazole-4-carboxylic acid
CID 68644018
3-ethyl-2-[(propan-2-ylamino)methyl]imidazole-4-carboxylic acid
CID 117188784
3-(dimethylamino)-1-(3-ethyl-2-methylimidazol-4-yl)prop-2-en-1-one
CID 68688176
5-amino-2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid
CID 82376144
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
2-methyl-3-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxylic acid
CID 65173163
2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
3-(2-ethoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172635
3-[2-(butylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172698
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90027529

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid (CID 82376148) is 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid is CCn1c(C(=O)O)cnc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
The InChIKey is QMNXIOLFNAUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-11-6(7(12)13)5-9-8(11)10(2)3/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid?
2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-ethylimidazole-4-carboxylic acid is sourced from PubChem (CID 82376148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).