2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid

C11H11N3O4 — CID 119350359

IUPAC2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCCc1noc2ncc(C(=O)NCC(=O)O)cc12
InChIInChI=1S/C11H11N3O4/c1-2-8-7-3-6(4-13-11(7)18-14-8)10(17)12-5-9(15)16/h3-4H,2,5H2,1H3,(H,12,17)(H,15,16)
InChIKeyIZQIWCLITXXBKR-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.60
Rot. Bonds4

About 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid

2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 119350359) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
PubChem CID119350359
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCCc1noc2ncc(C(=O)NCC(=O)O)cc12
InChIInChI=1S/C11H11N3O4/c1-2-8-7-3-6(4-13-11(7)18-14-8)10(17)12-5-9(15)16/h3-4H,2,5H2,1H3,(H,12,17)(H,15,16)
InChIKeyIZQIWCLITXXBKR-UHFFFAOYSA-N
XLogP0.60
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid (CID 119350359) is 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid is CCc1noc2ncc(C(=O)NCC(=O)O)cc12.
What is the InChIKey of 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is IZQIWCLITXXBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-2-8-7-3-6(4-13-11(7)18-14-8)10(17)12-5-9(15)16/h3-4H,2,5H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119350359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).