6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid

C11H15N3O4 — CID 81204140

IUPAC6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid
SMILESCC1COC(CO)CN1c1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-7-6-18-8(5-15)4-14(7)10-3-12-2-9(13-10)11(16)17/h2-3,7-8,15H,4-6H2,1H3,(H,16,17)
InChIKeyXKLIATBKIBTVRF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.24
Rot. Bonds3

About 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid

6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 81204140) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID81204140
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid
SMILESCC1COC(CO)CN1c1cncc(C(=O)O)n1
InChIInChI=1S/C11H15N3O4/c1-7-6-18-8(5-15)4-14(7)10-3-12-2-9(13-10)11(16)17/h2-3,7-8,15H,4-6H2,1H3,(H,16,17)
InChIKeyXKLIATBKIBTVRF-UHFFFAOYSA-N
XLogP-0.24
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(hydroxymethyl)pyrazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81219850
6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-2-carbothioamide
CID 81203310
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(6-bromo-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81208358
[5-methyl-4-[2-(methylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218201
5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
CID 81204669
(5-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 81218885
[4-(5-bromopyridazin-3-yl)-5-methylmorpholin-2-yl]methanol
CID 131963742
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891
[4-(6-aminopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81218492
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382525

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid (CID 81204140) is 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid is CC1COC(CO)CN1c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is XKLIATBKIBTVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-6-18-8(5-15)4-14(7)10-3-12-2-9(13-10)11(16)17/h2-3,7-8,15H,4-6H2,1H3,(H,16,17).
What are the key properties of 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid?
6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 81204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).