2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid

C13H13N3O4 — CID 79263557

IUPAC2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H13N3O4/c1-3-4-16(7-11(17)18)13(19)9-5-10-8(2)15-20-12(10)14-6-9/h3,5-6H,1,4,7H2,2H3,(H,17,18)
InChIKeyINWRVVFBZMTTEW-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid

2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79263557) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79263557
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H13N3O4/c1-3-4-16(7-11(17)18)13(19)9-5-10-8(2)15-20-12(10)14-6-9/h3,5-6H,1,4,7H2,2H3,(H,17,18)
InChIKeyINWRVVFBZMTTEW-UHFFFAOYSA-N
XLogP1.24
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid (CID 79263557) is 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1cnc2onc(C)c2c1.
What is the InChIKey of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is INWRVVFBZMTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-3-4-16(7-11(17)18)13(19)9-5-10-8(2)15-20-12(10)14-6-9/h3,5-6H,1,4,7H2,2H3,(H,17,18).
What are the key properties of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid?
2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79263557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).