3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid

C9H9N3O3 — CID 83883065

IUPAC3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESNc1cnc2oc(CCC(=O)O)nc2c1
InChIInChI=1S/C9H9N3O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2,10H2,(H,13,14)
InChIKeyWUUVVVICQLKLGC-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.82
Rot. Bonds3

About 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid

3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (PubChem CID 83883065) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
PubChem CID83883065
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
SMILESNc1cnc2oc(CCC(=O)O)nc2c1
InChIInChI=1S/C9H9N3O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2,10H2,(H,13,14)
InChIKeyWUUVVVICQLKLGC-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid (CID 83883065) is 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is Nc1cnc2oc(CCC(=O)O)nc2c1.
What is the InChIKey of 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
The InChIKey is WUUVVVICQLKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-5-3-6-9(11-4-5)15-7(12-6)1-2-8(13)14/h3-4H,1-2,10H2,(H,13,14).
What are the key properties of 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid?
3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83883065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).