3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid

C8H10N2O3 — CID 83668336

IUPAC3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCc1onc2c1CNC(C(=O)O)C2
InChIInChI=1S/C8H10N2O3/c1-4-5-3-9-7(8(11)12)2-6(5)10-13-4/h7,9H,2-3H2,1H3,(H,11,12)
InChIKeyGCXIDIROXULSGI-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.08
Rot. Bonds1

About 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid

3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid (PubChem CID 83668336) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
PubChem CID83668336
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCc1onc2c1CNC(C(=O)O)C2
InChIInChI=1S/C8H10N2O3/c1-4-5-3-9-7(8(11)12)2-6(5)10-13-4/h7,9H,2-3H2,1H3,(H,11,12)
InChIKeyGCXIDIROXULSGI-UHFFFAOYSA-N
XLogP0.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid (CID 83668336) is 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid is Cc1onc2c1CNC(C(=O)O)C2.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid?
The InChIKey is GCXIDIROXULSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-5-3-9-7(8(11)12)2-6(5)10-13-4/h7,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid?
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 83668336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).