2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

C15H16N2O2 — CID 117048325

IUPAC2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-15(14(18)19,9-11-4-3-7-17-10-11)12-5-2-6-13(16)8-12/h2-8,10H,9,16H2,1H3,(H,18,19)
InChIKeyBWLWVODUHWLPQZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (PubChem CID 117048325) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
PubChem CID117048325
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-15(14(18)19,9-11-4-3-7-17-10-11)12-5-2-6-13(16)8-12/h2-8,10H,9,16H2,1H3,(H,18,19)
InChIKeyBWLWVODUHWLPQZ-UHFFFAOYSA-N
XLogP2.25
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
CID 117048330
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048315
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048309
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048944
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (CID 117048325) is 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is CC(Cc1cccnc1)(C(=O)O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The InChIKey is BWLWVODUHWLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(14(18)19,9-11-4-3-7-17-10-11)12-5-2-6-13(16)8-12/h2-8,10H,9,16H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 117048325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).