(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate

C9H16N2O3 — CID 66994781

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate
SMILESCCN1C=CN(C)C1OC(=O)C(C)O
InChIInChI=1S/C9H16N2O3/c1-4-11-6-5-10(3)9(11)14-8(13)7(2)12/h5-7,9,12H,4H2,1-3H3
InChIKeyXZZQQWPQAVNGOY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.07
Rot. Bonds3

About (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate

(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate (PubChem CID 66994781) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate
PubChem CID66994781
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate
SMILESCCN1C=CN(C)C1OC(=O)C(C)O
InChIInChI=1S/C9H16N2O3/c1-4-11-6-5-10(3)9(11)14-8(13)7(2)12/h5-7,9,12H,4H2,1-3H3
InChIKeyXZZQQWPQAVNGOY-UHFFFAOYSA-N
XLogP-0.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
CID 68743808
(1-methyl-3-octyl-2H-imidazol-2-yl) 2-hydroxypropanoate
CID 66995266
(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
CID 66647991
(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707576
(2S)-3-(1-ethyl-3-methyl-2H-imidazol-2-yl)-2-hydroxypropanoic acid
CID 175712751
1-ethyl-3-methyl-2H-imidazole-2-carboxylate
CID 122235032
(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium
CID 66832442
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
(1-butyl-3-ethyl-2H-imidazol-2-yl)oxy-ethyl-dihydroxyphosphanium
CID 66723395
(1-hexyl-3-methyl-2H-imidazol-2-yl) ethanesulfonate
CID 87367195
cyclopent-3-en-1-yl 2-hydroxypropanoate
CID 22150875
[1-ethyl-3-(2-methoxyethyl)-2H-imidazol-2-yl] 3-methylsulfanylpropanoate
CID 118645190

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate (CID 66994781) is (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate is CCN1C=CN(C)C1OC(=O)C(C)O.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
The InChIKey is XZZQQWPQAVNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-11-6-5-10(3)9(11)14-8(13)7(2)12/h5-7,9,12H,4H2,1-3H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate has a molecular weight of 200.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate is sourced from PubChem (CID 66994781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).