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

C9H9N3O3 — CID 116990309

IUPAC3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1nc2ncccc2o1
InChIInChI=1S/C9H9N3O3/c10-5(4-7(13)14)9-12-8-6(15-9)2-1-3-11-8/h1-3,5H,4,10H2,(H,13,14)
InChIKeyCVYFQEAIKPMPFL-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.70
Rot. Bonds3

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

3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (PubChem CID 116990309) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
PubChem CID116990309
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1nc2ncccc2o1
InChIInChI=1S/C9H9N3O3/c10-5(4-7(13)14)9-12-8-6(15-9)2-1-3-11-8/h1-3,5H,4,10H2,(H,13,14)
InChIKeyCVYFQEAIKPMPFL-UHFFFAOYSA-N
XLogP0.70
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (CID 116990309) is 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is NC(CC(=O)O)c1nc2ncccc2o1.
What is the InChIKey of 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The InChIKey is CVYFQEAIKPMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-5(4-7(13)14)9-12-8-6(15-9)2-1-3-11-8/h1-3,5H,4,10H2,(H,13,14).
What are the key properties of 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 116990309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).