5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid

C10H16N2O4 — CID 150845253

IUPAC5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid
SMILESCOC(C)c1nc(C(=O)O)c(C(C)(C)O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-5(16-4)8-11-6(9(13)14)7(12-8)10(2,3)15/h5,15H,1-4H3,(H,11,12)(H,13,14)
InChIKeyKOVWSDQOOLGWQN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.04
Rot. Bonds4

About 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid

5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid (PubChem CID 150845253) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid
PubChem CID150845253
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid
SMILESCOC(C)c1nc(C(=O)O)c(C(C)(C)O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-5(16-4)8-11-6(9(13)14)7(12-8)10(2,3)15/h5,15H,1-4H3,(H,11,12)(H,13,14)
InChIKeyKOVWSDQOOLGWQN-UHFFFAOYSA-N
XLogP1.04
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxybutyl)-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylic acid
CID 57066107
5-bromo-6-tert-butyl-2-(1-methoxyethyl)-1H-pyrimidine-4-thione
CID 106479655
methyl 5-(2-hydroxypropan-2-yl)-2-methyl-1H-imidazole-4-carboxylate
CID 123942633
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
CID 67476922
2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79615913
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
2-(1-methoxyethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374798
2-(1-methoxyethyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478750

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid (CID 150845253) is 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid is COC(C)c1nc(C(=O)O)c(C(C)(C)O)[nH]1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is KOVWSDQOOLGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(16-4)8-11-6(9(13)14)7(12-8)10(2,3)15/h5,15H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid?
5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-(1-methoxyethyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 150845253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).