(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate

C16H15F2NO2 — CID 67696184

IUPAC(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate
SMILESNCC(C(=O)OCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2/c17-13-6-4-11(5-7-13)10-21-16(20)15(9-19)12-2-1-3-14(18)8-12/h1-8,15H,9-10,19H2
InChIKeySOZVDVYJCHRYSO-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.75
Rot. Bonds5

About (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate

(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate (PubChem CID 67696184) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate
PubChem CID67696184
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate
SMILESNCC(C(=O)OCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2/c17-13-6-4-11(5-7-13)10-21-16(20)15(9-19)12-2-1-3-14(18)8-12/h1-8,15H,9-10,19H2
InChIKeySOZVDVYJCHRYSO-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
CID 12636208
(+/-)-threo-Benzylphenidate
CID 52948225
Dinorpropoxyphene
CID 76956082
phenylalanine O-benzyl ester
CID 102533
Benzyl 3-phenyl-L-alaninate hydrochloride
CID 11140855
Benzyl 3-phenyl-L-alaninate
CID 736312
benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate
CID 156775038
Ethyl 3-amino-2-phenylpropanoate
CID 343704
4-Amino-3-methyl-1,2-diphenylbutan-2-YL propanoate
CID 39231
[(2S)-4-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methoxy]-4-oxo-1-phenylbutan-2-yl]azanium
CID 101420061
Phenylalanine pentafluorobenzyl ester
CID 129822190
benzyl (2S)-2-(4-fluorophenyl)propanoate
CID 132528820

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate?
The IUPAC name of (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate (CID 67696184) is (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate is NCC(C(=O)OCc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate?
The InChIKey is SOZVDVYJCHRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-13-6-4-11(5-7-13)10-21-16(20)15(9-19)12-2-1-3-14(18)8-12/h1-8,15H,9-10,19H2.
What are the key properties of (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate?
(4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate has a molecular weight of 291.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-amino-2-(3-fluorophenyl)propanoate is sourced from PubChem (CID 67696184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).