2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid

C9H15NO3 — CID 83915202

IUPAC2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)C1CCNC2COCCC21
InChIInChI=1S/C9H15NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h6-8,10H,1-5H2,(H,11,12)
InChIKeyDJLXQLDRNMAFDP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.09
Rot. Bonds1

About 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid

2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 83915202) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID83915202
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)C1CCNC2COCCC21
InChIInChI=1S/C9H15NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h6-8,10H,1-5H2,(H,11,12)
InChIKeyDJLXQLDRNMAFDP-UHFFFAOYSA-N
XLogP0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
CID 129413164
(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 129413165
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
CID 83915881
4-cyclobutyloxane-3-carboxylic acid
CID 84769408
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
(4R)-3-hydroxyoxane-4-carboxylic acid
CID 156677456
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid
CID 83817432
trans-(1R,2S)-2-[(3S)-morpholin-3-yl]cyclopentan-1-ol
CID 124709951
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
(1R,3aR,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
CID 100658244
2-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79388592

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid (CID 83915202) is 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid is O=C(O)C1CCNC2COCCC21.
What is the InChIKey of 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DJLXQLDRNMAFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h6-8,10H,1-5H2,(H,11,12).
What are the key properties of 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid?
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 83915202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).