2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid

C8H13N3O2 — CID 82372771

IUPAC2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N(C)C
InChIInChI=1S/C8H13N3O2/c1-5-6(10-4-9-5)7(8(12)13)11(2)3/h4,7H,1-3H3,(H,9,10)(H,12,13)
InChIKeyYSYWCTAYLLEITB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.41
Rot. Bonds3

About 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid

2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid (PubChem CID 82372771) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
PubChem CID82372771
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(C(=O)O)N(C)C
InChIInChI=1S/C8H13N3O2/c1-5-6(10-4-9-5)7(8(12)13)11(2)3/h4,7H,1-3H3,(H,9,10)(H,12,13)
InChIKeyYSYWCTAYLLEITB-UHFFFAOYSA-N
XLogP0.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742953
methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
CID 131497707
ethane;5-methyl-4-propan-2-yl-1H-imidazole
CID 170617966
5-methyl-4-(1-methylsulfanylethyl)-1H-imidazole
CID 174272921
2-(5-chloro-1-methylimidazol-4-yl)-2-(dimethylamino)acetic acid
CID 84740183
3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
CID 170827482
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
CID 126972584
5-methyl-1H-imidazol-4-ol
CID 54352844
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
(5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70570863
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid (CID 82372771) is 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]cnc1C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is YSYWCTAYLLEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(10-4-9-5)7(8(12)13)11(2)3/h4,7H,1-3H3,(H,9,10)(H,12,13).
What are the key properties of 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(5-methyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 82372771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).