5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid

C11H13NO4 — CID 162716173

IUPAC5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid
SMILESCc1ccncc1C1OC(O)CC1C(=O)O
InChIInChI=1S/C11H13NO4/c1-6-2-3-12-5-8(6)10-7(11(14)15)4-9(13)16-10/h2-3,5,7,9-10,13H,4H2,1H3,(H,14,15)
InChIKeyGSFBHFOMHSJNIT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.87
Rot. Bonds2

About 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid

5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid (PubChem CID 162716173) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid
PubChem CID162716173
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid
SMILESCc1ccncc1C1OC(O)CC1C(=O)O
InChIInChI=1S/C11H13NO4/c1-6-2-3-12-5-8(6)10-7(11(14)15)4-9(13)16-10/h2-3,5,7,9-10,13H,4H2,1H3,(H,14,15)
InChIKeyGSFBHFOMHSJNIT-UHFFFAOYSA-N
XLogP0.87
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 117042628
1-[2-(4-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 102539175
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611
3-cycloheptyl-4-methylpyridine
CID 146408954
1-methyl-1,3-dihydrofuro[3,4-c]pyridin-3-ol
CID 150712720
tert-butyl 2-[(2S,3R,4R,6S)-6-(3-amino-4-pyridinyl)-3-hydroxy-2,3-dimethyloxan-4-yl]acetate
CID 157330908
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
cis-(1R,3S)-3-[(3-methyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106321989
4-methylpyridine-3-carbonyl chloride
CID 22386188
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
3-(4-methyl-3-pyridinyl)cycloheptan-1-one
CID 66271472
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114701381

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid (CID 162716173) is 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid is Cc1ccncc1C1OC(O)CC1C(=O)O.
What is the InChIKey of 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid?
The InChIKey is GSFBHFOMHSJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-2-3-12-5-8(6)10-7(11(14)15)4-9(13)16-10/h2-3,5,7,9-10,13H,4H2,1H3,(H,14,15).
What are the key properties of 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid?
5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-methyl-3-pyridinyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 162716173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).