5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid

C12H17N3O4 — CID 81439891

IUPAC5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCC1COC(CO)CN1c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H17N3O4/c1-7-6-19-9(5-16)4-15(7)11-10(13)2-8(3-14-11)12(17)18/h2-3,7,9,16H,4-6,13H2,1H3,(H,17,18)
InChIKeyGXIJBMCXODSIHL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.05
Rot. Bonds3

About 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid

5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 81439891) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID81439891
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
SMILESCC1COC(CO)CN1c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H17N3O4/c1-7-6-19-9(5-16)4-15(7)11-10(13)2-8(3-14-11)12(17)18/h2-3,7,9,16H,4-6,13H2,1H3,(H,17,18)
InChIKeyGXIJBMCXODSIHL-UHFFFAOYSA-N
XLogP-0.05
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382525
methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81216804
5-amino-6-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81439379
[4-(6-aminopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81218492
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid
CID 81204140
5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
CID 81204669

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid (CID 81439891) is 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid is CC1COC(CO)CN1c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is GXIJBMCXODSIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-6-19-9(5-16)4-15(7)11-10(13)2-8(3-14-11)12(17)18/h2-3,7,9,16H,4-6,13H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid?
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).