2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid

C16H17FN2O2 — CID 106490629

IUPAC2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid
SMILESNCC(CCc1ccccn1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-7-2-1-6-13(14)16(11-18,15(20)21)9-8-12-5-3-4-10-19-12/h1-7,10H,8-9,11,18H2,(H,20,21)
InChIKeyWXPGWQJUBOHDIA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.13
Rot. Bonds6

About 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid

2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid (PubChem CID 106490629) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid
PubChem CID106490629
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid
SMILESNCC(CCc1ccccn1)(C(=O)O)c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-7-2-1-6-13(14)16(11-18,15(20)21)9-8-12-5-3-4-10-19-12/h1-7,10H,8-9,11,18H2,(H,20,21)
InChIKeyWXPGWQJUBOHDIA-UHFFFAOYSA-N
XLogP2.13
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
CID 106490661
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-(2-fluorophenyl)-1-pyridin-2-ylbutan-2-amine
CID 112679626
2-(2-fluoroethyl)pyridine
CID 23246235
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-ethoxycarbonyl-3-methyl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 103974346
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid (CID 106490629) is 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid is NCC(CCc1ccccn1)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid?
The InChIKey is WXPGWQJUBOHDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-7-2-1-6-13(14)16(11-18,15(20)21)9-8-12-5-3-4-10-19-12/h1-7,10H,8-9,11,18H2,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid?
2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid has a molecular weight of 288.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-fluorophenyl)-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 106490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).