6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid

C13H16N2O5 — CID 102934025

IUPAC6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)cn2)CC(CO)O1
InChIInChI=1S/C13H16N2O5/c1-8-5-15(6-10(7-16)20-8)12(17)11-3-2-9(4-14-11)13(18)19/h2-4,8,10,16H,5-7H2,1H3,(H,18,19)
InChIKeyRMXVXOZILDISGE-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.00
Rot. Bonds3

About 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid

6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid (PubChem CID 102934025) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
PubChem CID102934025
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)cn2)CC(CO)O1
InChIInChI=1S/C13H16N2O5/c1-8-5-15(6-10(7-16)20-8)12(17)11-3-2-9(4-14-11)13(18)19/h2-4,8,10,16H,5-7H2,1H3,(H,18,19)
InChIKeyRMXVXOZILDISGE-UHFFFAOYSA-N
XLogP0.00
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
CID 102932878
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 102936109
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978653

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid (CID 102934025) is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid is CC1CN(C(=O)c2ccc(C(=O)O)cn2)CC(CO)O1.
What is the InChIKey of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is RMXVXOZILDISGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-5-15(6-10(7-16)20-8)12(17)11-3-2-9(4-14-11)13(18)19/h2-4,8,10,16H,5-7H2,1H3,(H,18,19).
What are the key properties of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid?
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 102934025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).