2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid

C10H11N3O3 — CID 83838113

IUPAC2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid
SMILESCc1noc2ccnc(N(C)CC(=O)O)c12
InChIInChI=1S/C10H11N3O3/c1-6-9-7(16-12-6)3-4-11-10(9)13(2)5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQKVQXIBLTRYMLA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.05
Rot. Bonds3

About 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid

2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid (PubChem CID 83838113) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid
PubChem CID83838113
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid
SMILESCc1noc2ccnc(N(C)CC(=O)O)c12
InChIInChI=1S/C10H11N3O3/c1-6-9-7(16-12-6)3-4-11-10(9)13(2)5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQKVQXIBLTRYMLA-UHFFFAOYSA-N
XLogP1.05
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid (CID 83838113) is 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid is Cc1noc2ccnc(N(C)CC(=O)O)c12.
What is the InChIKey of 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid?
The InChIKey is QKVQXIBLTRYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-9-7(16-12-6)3-4-11-10(9)13(2)5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid?
2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid has a molecular weight of 221.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)amino]acetic acid is sourced from PubChem (CID 83838113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).