3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid

C7H10N2O4 — CID 54493376

IUPAC3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
SMILESCn1c(O)cn(CCC(=O)O)c1=O
InChIInChI=1S/C7H10N2O4/c1-8-5(10)4-9(7(8)13)3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyXXIXKQSMPGAUNF-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.63
Rot. Bonds3

About 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid

3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid (PubChem CID 54493376) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
PubChem CID54493376
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
SMILESCn1c(O)cn(CCC(=O)O)c1=O
InChIInChI=1S/C7H10N2O4/c1-8-5(10)4-9(7(8)13)3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyXXIXKQSMPGAUNF-UHFFFAOYSA-N
XLogP-0.63
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid
CID 112707966
3-[3-(2-carboxyethyl)-2,4,6-trioxo-5-propyl-1,3,5-triazinan-1-yl]propanoic acid
CID 59141687
3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid
CID 80580791
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 63798858
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
CID 82363949
4-amino-4-(1,3-dimethyl-2-oxoimidazol-4-yl)butanoic acid
CID 112546213
7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid
CID 67102420
3-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82512164
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
1-ethyl-4-(hydroxymethyl)-3-methylimidazol-2-one
CID 125457192
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid (CID 54493376) is 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid is Cn1c(O)cn(CCC(=O)O)c1=O.
What is the InChIKey of 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid?
The InChIKey is XXIXKQSMPGAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-8-5(10)4-9(7(8)13)3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid?
3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid is sourced from PubChem (CID 54493376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).