3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid

C12H16FNO2 — CID 94259708

IUPAC3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-14(9-7-12(15)16)8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyXYBZGUPSGBTGQK-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.77
Rot. Bonds6

About 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid

3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid (PubChem CID 94259708) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
PubChem CID94259708
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-14(9-7-12(15)16)8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyXYBZGUPSGBTGQK-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
methyl 1-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247697
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid (CID 94259708) is 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid is CN(CCC(=O)O)CCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid?
The InChIKey is XYBZGUPSGBTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-14(9-7-12(15)16)8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid?
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid has a molecular weight of 225.26 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 94259708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).