6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid

C11H14N2O3 — CID 94378498

IUPAC6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1COCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-8-7-16-6-5-13(8)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyKRHGKBMDVHICSI-MRVPVSSYSA-N
MW222.24 g/mol
LogP1.00
Rot. Bonds2

About 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid

6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid (PubChem CID 94378498) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
PubChem CID94378498
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1COCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-8-7-16-6-5-13(8)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyKRHGKBMDVHICSI-MRVPVSSYSA-N
XLogP1.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid (CID 94378498) is 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid is C[C@@H]1COCCN1c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid?
The InChIKey is KRHGKBMDVHICSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-7-16-6-5-13(8)10-4-2-3-9(12-10)11(14)15/h2-4,8H,5-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid?
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 94378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).