(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid

C14H20N2O3 — CID 136588427

IUPAC(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid
SMILESCc1cc(C)nc(CN2C[C@@H](C)O[C@H](C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-9-4-10(2)15-12(5-9)7-16-6-11(3)19-13(8-16)14(17)18/h4-5,11,13H,6-8H2,1-3H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyXPXQOQBHPHNCNJ-YPMHNXCESA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds3

About (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid

(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 136588427) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID136588427
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid
SMILESCc1cc(C)nc(CN2C[C@@H](C)O[C@H](C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O3/c1-9-4-10(2)15-12(5-9)7-16-6-11(3)19-13(8-16)14(17)18/h4-5,11,13H,6-8H2,1-3H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyXPXQOQBHPHNCNJ-YPMHNXCESA-N
XLogP1.37
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid (CID 136588427) is (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid is Cc1cc(C)nc(CN2C[C@@H](C)O[C@H](C(=O)O)C2)c1.
What is the InChIKey of (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is XPXQOQBHPHNCNJ-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-10(2)15-12(5-9)7-16-6-11(3)19-13(8-16)14(17)18/h4-5,11,13H,6-8H2,1-3H3,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid?
(2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(4,6-dimethyl-2-pyridinyl)methyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 136588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).