(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate

C16H16FNO2 — CID 63933223

IUPAC(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
SMILESNC(CC(=O)OCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c17-14-9-5-4-8-13(14)11-20-16(19)10-15(18)12-6-2-1-3-7-12/h1-9,15H,10-11,18H2
InChIKeyIZDGHUOWICCHNH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.96
Rot. Bonds5

About (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate

(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate (PubChem CID 63933223) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
PubChem CID63933223
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate
SMILESNC(CC(=O)OCc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO2/c17-14-9-5-4-8-13(14)11-20-16(19)10-15(18)12-6-2-1-3-7-12/h1-9,15H,10-11,18H2
InChIKeyIZDGHUOWICCHNH-UHFFFAOYSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
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CID 150795709
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
(2-fluorophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983552
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
1-O-[(2-fluorophenyl)methyl] 5-O-(2-methylpropyl) pentanedioate
CID 91704405
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
methylsulfonyl (3R)-3-amino-3-phenylpropanoate
CID 87900955
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
(2-fluorophenyl)methyl 2-tert-butylsulfanylacetate
CID 84603150

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate (CID 63933223) is (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate is NC(CC(=O)OCc1ccccc1F)c1ccccc1.
What is the InChIKey of (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate?
The InChIKey is IZDGHUOWICCHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-9-5-4-8-13(14)11-20-16(19)10-15(18)12-6-2-1-3-7-12/h1-9,15H,10-11,18H2.
What are the key properties of (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate?
(2-fluorophenyl)methyl 3-amino-3-phenylpropanoate has a molecular weight of 273.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-amino-3-phenylpropanoate is sourced from PubChem (CID 63933223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).