ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate

C10H16N2O4 — CID 82776746

IUPACethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)6-8(13)7-12-5-4-11(2)10(12)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyDFTKDKAPPRHSPF-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.50
Rot. Bonds5

About ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate

ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate (PubChem CID 82776746) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate
PubChem CID82776746
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ccn(C)c1=O
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)6-8(13)7-12-5-4-11(2)10(12)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyDFTKDKAPPRHSPF-UHFFFAOYSA-N
XLogP-0.50
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate (CID 82776746) is ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate is CCOC(=O)CC(O)Cn1ccn(C)c1=O.
What is the InChIKey of ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate?
The InChIKey is DFTKDKAPPRHSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-16-9(14)6-8(13)7-12-5-4-11(2)10(12)15/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate?
ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate has a molecular weight of 228.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(3-methyl-2-oxoimidazol-1-yl)butanoate is sourced from PubChem (CID 82776746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).