5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C15H21N3O4 — CID 122057315

IUPAC5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1
InChIInChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21)
InChIKeyPRIVYWZIBVVCGR-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.93
Rot. Bonds3

About 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid

5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122057315) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122057315
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1
InChIInChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21)
InChIKeyPRIVYWZIBVVCGR-UHFFFAOYSA-N
XLogP0.93
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122057315) is 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCOCC2C2CCCCC2O)cn1.
What is the InChIKey of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is PRIVYWZIBVVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-13-4-2-1-3-10(13)12-9-22-6-5-18(12)14-8-16-11(7-17-14)15(20)21/h7-8,10,12-13,19H,1-6,9H2,(H,20,21).
What are the key properties of 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxycyclohexyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).