2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid

C11H12N2O3 — CID 83859387

IUPAC2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESCC(C)(Cc1nc2cccnc2o1)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(2,10(14)15)6-8-13-7-4-3-5-12-9(7)16-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyMTMSFOBUEIZJRK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.88
Rot. Bonds3

About 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid

2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 83859387) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID83859387
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESCC(C)(Cc1nc2cccnc2o1)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(2,10(14)15)6-8-13-7-4-3-5-12-9(7)16-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyMTMSFOBUEIZJRK-UHFFFAOYSA-N
XLogP1.88
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 83859387) is 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is CC(C)(Cc1nc2cccnc2o1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is MTMSFOBUEIZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2,10(14)15)6-8-13-7-4-3-5-12-9(7)16-8/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83859387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).