methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate

C10H16N2O3 — CID 79744437

IUPACmethyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
SMILESCCCn1ccnc1CC(O)C(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-5-12-6-4-11-9(12)7-8(13)10(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyRKDVIIONLLGBIE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.37
Rot. Bonds5

About methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate

methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate (PubChem CID 79744437) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
PubChem CID79744437
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
SMILESCCCn1ccnc1CC(O)C(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-5-12-6-4-11-9(12)7-8(13)10(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyRKDVIIONLLGBIE-UHFFFAOYSA-N
XLogP0.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
[3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105323296
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
methyl 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 55143375

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate (CID 79744437) is methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate is CCCn1ccnc1CC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate?
The InChIKey is RKDVIIONLLGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-12-6-4-11-9(12)7-8(13)10(14)15-2/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate?
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate has a molecular weight of 212.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate is sourced from PubChem (CID 79744437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).