1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid

C11H14N2O2 — CID 104823904

IUPAC1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
SMILESCc1ccc(CN2CC(C(=O)O)C2)cn1
InChIInChI=1S/C11H14N2O2/c1-8-2-3-9(4-12-8)5-13-6-10(7-13)11(14)15/h2-4,10H,5-7H2,1H3,(H,14,15)
InChIKeyLYQAAXRRAPURDH-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.91
Rot. Bonds3

About 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid

1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid (PubChem CID 104823904) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
PubChem CID104823904
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
SMILESCc1ccc(CN2CC(C(=O)O)C2)cn1
InChIInChI=1S/C11H14N2O2/c1-8-2-3-9(4-12-8)5-13-6-10(7-13)11(14)15/h2-4,10H,5-7H2,1H3,(H,14,15)
InChIKeyLYQAAXRRAPURDH-UHFFFAOYSA-N
XLogP0.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
1-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 59451829
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
CID 62995501
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
1-[(3-methyl-4-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 130877844
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid (CID 104823904) is 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid is Cc1ccc(CN2CC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid?
The InChIKey is LYQAAXRRAPURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-2-3-9(4-12-8)5-13-6-10(7-13)11(14)15/h2-4,10H,5-7H2,1H3,(H,14,15).
What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid?
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 104823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).