3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid

C16H18N2O2 — CID 115982199

IUPAC3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
SMILESCc1cccnc1CN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13-6-5-10-17-15(13)12-18(11-9-16(19)20)14-7-3-2-4-8-14/h2-8,10H,9,11-12H2,1H3,(H,19,20)
InChIKeyLBSYQZFYWPFXBB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds6

About 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid

3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid (PubChem CID 115982199) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
PubChem CID115982199
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
SMILESCc1cccnc1CN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-13-6-5-10-17-15(13)12-18(11-9-16(19)20)14-7-3-2-4-8-14/h2-8,10H,9,11-12H2,1H3,(H,19,20)
InChIKeyLBSYQZFYWPFXBB-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanethioamide
CID 115981947
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
3-[N-[(2-methylpyrazol-3-yl)methyl]anilino]propanoic acid
CID 65059465
3-[N-[(5-fluoro-2-methylphenyl)methyl]anilino]propanoic acid
CID 105372393
3-[4-ethyl-N-[(2-methylphenyl)methyl]anilino]propanoic acid
CID 82317491
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
CID 82318176
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
3-[(3-methyl-2-pyridinyl)methylsulfinyl]propanoic acid
CID 112651143

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid?
The IUPAC name of 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid (CID 115982199) is 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid.
What is the SMILES notation for 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid?
The canonical SMILES for 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid is Cc1cccnc1CN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid?
The InChIKey is LBSYQZFYWPFXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-13-6-5-10-17-15(13)12-18(11-9-16(19)20)14-7-3-2-4-8-14/h2-8,10H,9,11-12H2,1H3,(H,19,20).
What are the key properties of 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid?
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid is sourced from PubChem (CID 115982199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).