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

C14H15N3O4 — CID 79844219

IUPAC2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1noc2ncc(C(=O)NC3(CC(=O)O)CCC3)cc12
InChIInChI=1S/C14H15N3O4/c1-8-10-5-9(7-15-13(10)21-17-8)12(20)16-14(3-2-4-14)6-11(18)19/h5,7H,2-4,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyATVQOXPRTPZZEM-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.66
Rot. Bonds4

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

2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79844219) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79844219
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1noc2ncc(C(=O)NC3(CC(=O)O)CCC3)cc12
InChIInChI=1S/C14H15N3O4/c1-8-10-5-9(7-15-13(10)21-17-8)12(20)16-14(3-2-4-14)6-11(18)19/h5,7H,2-4,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyATVQOXPRTPZZEM-UHFFFAOYSA-N
XLogP1.66
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid (CID 79844219) is 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid is Cc1noc2ncc(C(=O)NC3(CC(=O)O)CCC3)cc12.
What is the InChIKey of 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is ATVQOXPRTPZZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-10-5-9(7-15-13(10)21-17-8)12(20)16-14(3-2-4-14)6-11(18)19/h5,7H,2-4,6H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).