3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid

C8H11NO4 — CID 83828821

IUPAC3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
SMILESCOC(CC(=O)O)c1cc(C)on1
InChIInChI=1S/C8H11NO4/c1-5-3-6(9-13-5)7(12-2)4-8(10)11/h3,7H,4H2,1-2H3,(H,10,11)
InChIKeyBXMNGNIYQAUDFH-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.15
Rot. Bonds4

About 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid

3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 83828821) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
PubChem CID83828821
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
SMILESCOC(CC(=O)O)c1cc(C)on1
InChIInChI=1S/C8H11NO4/c1-5-3-6(9-13-5)7(12-2)4-8(10)11/h3,7H,4H2,1-2H3,(H,10,11)
InChIKeyBXMNGNIYQAUDFH-UHFFFAOYSA-N
XLogP1.15
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
CID 83835219
2-methoxy-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83827182
2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid
CID 112716587
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
3-methoxy-3-phenylpropanoic acid
CID 13379217
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762
(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
CID 142479631
2-amino-2-(5-methyl-1,2-oxazol-3-yl)ethanol
CID 82417979
[iodo-(5-methyl-1,2-oxazol-3-yl)methyl] formate
CID 174977573
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
2-[[(2S)-3-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]acetic acid
CID 155374949
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid (CID 83828821) is 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid is COC(CC(=O)O)c1cc(C)on1.
What is the InChIKey of 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is BXMNGNIYQAUDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5-3-6(9-13-5)7(12-2)4-8(10)11/h3,7H,4H2,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid?
3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 83828821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).