4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid

C12H16N2O3 — CID 81320292

IUPAC4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CN2CCOCC2C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-10(13-6-9)7-14-4-5-17-8-11(14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMRZOQCUXTUXTRB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.68
Rot. Bonds3

About 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid

4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid (PubChem CID 81320292) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
PubChem CID81320292
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
SMILESCc1ccc(CN2CCOCC2C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-10(13-6-9)7-14-4-5-17-8-11(14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMRZOQCUXTUXTRB-UHFFFAOYSA-N
XLogP0.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid (CID 81320292) is 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid is Cc1ccc(CN2CCOCC2C(=O)O)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid?
The InChIKey is MRZOQCUXTUXTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-3-10(13-6-9)7-14-4-5-17-8-11(14)12(15)16/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid?
4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 81320292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).