1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid

C17H18N2O2 — CID 110082239

IUPAC1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid
SMILESCc1cccc(Cc2ccc(N3CC(C(=O)O)C3)nc2)c1
InChIInChI=1S/C17H18N2O2/c1-12-3-2-4-13(7-12)8-14-5-6-16(18-9-14)19-10-15(11-19)17(20)21/h2-7,9,15H,8,10-11H2,1H3,(H,20,21)
InChIKeyKJXBMRYEHLIKJJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.50
Rot. Bonds4

About 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid

1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid (PubChem CID 110082239) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid
PubChem CID110082239
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid
SMILESCc1cccc(Cc2ccc(N3CC(C(=O)O)C3)nc2)c1
InChIInChI=1S/C17H18N2O2/c1-12-3-2-4-13(7-12)8-14-5-6-16(18-9-14)19-10-15(11-19)17(20)21/h2-7,9,15H,8,10-11H2,1H3,(H,20,21)
InChIKeyKJXBMRYEHLIKJJ-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 23341007
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
2-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 82170245
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
5-benzyl-2-(4-buta-2,3-dien-2-ylpiperidin-1-yl)pyridine
CID 88870015
1-[3-[3-(2-hydroxyethyl)phenyl]-5-methylphenyl]azetidine-3-carboxylic acid
CID 126672521
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid (CID 110082239) is 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid is Cc1cccc(Cc2ccc(N3CC(C(=O)O)C3)nc2)c1.
What is the InChIKey of 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid?
The InChIKey is KJXBMRYEHLIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-3-2-4-13(7-12)8-14-5-6-16(18-9-14)19-10-15(11-19)17(20)21/h2-7,9,15H,8,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid?
1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylphenyl)methyl]-2-pyridinyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 110082239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).