6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid

C15H20N2O3 — CID 122054004

IUPAC6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)C(Nc2cccc(C(=O)O)n2)C2CCCOC21
InChIInChI=1S/C15H20N2O3/c1-15(2)12(9-5-4-8-20-13(9)15)17-11-7-3-6-10(16-11)14(18)19/h3,6-7,9,12-13H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGEYHPUZJSURMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds3

About 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid

6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid (PubChem CID 122054004) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid
PubChem CID122054004
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)C(Nc2cccc(C(=O)O)n2)C2CCCOC21
InChIInChI=1S/C15H20N2O3/c1-15(2)12(9-5-4-8-20-13(9)15)17-11-7-3-6-10(16-11)14(18)19/h3,6-7,9,12-13H,4-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGEYHPUZJSURMP-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119185912
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-fluoropyridin-2-amine
CID 115646530
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-4-fluorobenzoic acid
CID 64865568
4-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)carbamoyl]benzoic acid
CID 119186592
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]benzoic acid
CID 64862917
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
CID 122054940
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
N-(2-iodophenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863606
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]benzoic acid
CID 124682594
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-2-methylpyridin-3-amine
CID 79042063

Frequently Asked Questions

What is the IUPAC name of 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid (CID 122054004) is 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid is CC1(C)C(Nc2cccc(C(=O)O)n2)C2CCCOC21.
What is the InChIKey of 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is HGEYHPUZJSURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)12(9-5-4-8-20-13(9)15)17-11-7-3-6-10(16-11)14(18)19/h3,6-7,9,12-13H,4-5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid?
6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).