2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid

C16H19N3O4 — CID 119346057

IUPAC2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N(C)CC(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-3-4-11-14-10(16(22)19(2)8-13(20)21)7-12(9-5-6-9)17-15(14)23-18-11/h7,9H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyGWYBVCNKLCXUII-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.21
Rot. Bonds6

About 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid

2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid (PubChem CID 119346057) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
PubChem CID119346057
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N(C)CC(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-3-4-11-14-10(16(22)19(2)8-13(20)21)7-12(9-5-6-9)17-15(14)23-18-11/h7,9H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyGWYBVCNKLCXUII-UHFFFAOYSA-N
XLogP2.21
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid (CID 119346057) is 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid is CCCc1noc2nc(C3CC3)cc(C(=O)N(C)CC(=O)O)c12.
What is the InChIKey of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid?
The InChIKey is GWYBVCNKLCXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-4-11-14-10(16(22)19(2)8-13(20)21)7-12(9-5-6-9)17-15(14)23-18-11/h7,9H,3-6,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid?
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119346057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).