7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid

C10H12N2O3 — CID 154995181

IUPAC7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)OCCCCN2
InChIInChI=1S/C10H12N2O3/c13-10(14)7-5-8-9(12-6-7)11-3-1-2-4-15-8/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyOBJCJSQCVQOTSK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.36
Rot. Bonds1

About 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid

7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid (PubChem CID 154995181) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid
PubChem CID154995181
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)OCCCCN2
InChIInChI=1S/C10H12N2O3/c13-10(14)7-5-8-9(12-6-7)11-3-1-2-4-15-8/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyOBJCJSQCVQOTSK-UHFFFAOYSA-N
XLogP1.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid?
The IUPAC name of 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid (CID 154995181) is 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid.
What is the SMILES notation for 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid?
The canonical SMILES for 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid is O=C(O)c1cnc2c(c1)OCCCCN2.
What is the InChIKey of 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid?
The InChIKey is OBJCJSQCVQOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(14)7-5-8-9(12-6-7)11-3-1-2-4-15-8/h5-6H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid?
7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-6H-pyrido[3,2-b][1,4]oxazocine-3-carboxylic acid is sourced from PubChem (CID 154995181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).