3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid

C8H12N2O3 — CID 79744530

IUPAC3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
SMILESCCn1ccnc1CC(O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-10-4-3-9-7(10)5-6(11)8(12)13/h3-4,6,11H,2,5H2,1H3,(H,12,13)
InChIKeyVRTNMKLQEZCYEL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.11
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid

3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid (PubChem CID 79744530) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
PubChem CID79744530
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
SMILESCCn1ccnc1CC(O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-10-4-3-9-7(10)5-6(11)8(12)13/h3-4,6,11H,2,5H2,1H3,(H,12,13)
InChIKeyVRTNMKLQEZCYEL-UHFFFAOYSA-N
XLogP-0.11
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-amino-3-[(1-ethylimidazol-2-yl)methylsulfanyl]propanoic acid
CID 62738079
ethyl 2-[(1-ethylimidazol-2-yl)methyl]pentanoate
CID 83043651
2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105112314
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
CID 62735689
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid (CID 79744530) is 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid is CCn1ccnc1CC(O)C(=O)O.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid?
The InChIKey is VRTNMKLQEZCYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-10-4-3-9-7(10)5-6(11)8(12)13/h3-4,6,11H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid?
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid has a molecular weight of 184.19 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 79744530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).