2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid

C10H11N3O3 — CID 83838108

IUPAC2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ccnc2oncc12)C(=O)O
InChIInChI=1S/C10H11N3O3/c1-10(2,9(14)15)13-7-3-4-11-8-6(7)5-12-16-8/h3-5H,1-2H3,(H,11,13)(H,14,15)
InChIKeyXTQWPLARDVKGOY-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.50
Rot. Bonds3

About 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid

2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid (PubChem CID 83838108) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid
PubChem CID83838108
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid
SMILESCC(C)(Nc1ccnc2oncc12)C(=O)O
InChIInChI=1S/C10H11N3O3/c1-10(2,9(14)15)13-7-3-4-11-8-6(7)5-12-16-8/h3-5H,1-2H3,(H,11,13)(H,14,15)
InChIKeyXTQWPLARDVKGOY-UHFFFAOYSA-N
XLogP1.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid (CID 83838108) is 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid is CC(C)(Nc1ccnc2oncc12)C(=O)O.
What is the InChIKey of 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid?
The InChIKey is XTQWPLARDVKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-10(2,9(14)15)13-7-3-4-11-8-6(7)5-12-16-8/h3-5H,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid?
2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid has a molecular weight of 221.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid is sourced from PubChem (CID 83838108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).