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

C12H16N2O3 — CID 102877444

IUPAC4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
SMILESCc1cncc(CN2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-10(6-13-5-9)7-14-2-3-17-11(8-14)12(15)16/h4-6,11H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyVKUYORMINZMHLK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.68
Rot. Bonds3

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

4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid (PubChem CID 102877444) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
PubChem CID102877444
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
SMILESCc1cncc(CN2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-9-4-10(6-13-5-9)7-14-2-3-17-11(8-14)12(15)16/h4-6,11H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyVKUYORMINZMHLK-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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Related Compounds

4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
CID 122570187
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid (CID 102877444) is 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid is Cc1cncc(CN2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is VKUYORMINZMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-4-10(6-13-5-9)7-14-2-3-17-11(8-14)12(15)16/h4-6,11H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of 4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid?
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-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-3-pyridinyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 102877444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).