ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate

C17H18FNO2 — CID 170884879

IUPACethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-2-21-17(20)16(19)11-12-4-3-5-14(10-12)13-6-8-15(18)9-7-13/h3-10,16H,2,11,19H2,1H3
InChIKeyQIASSGGPCNNLKT-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate

ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate (PubChem CID 170884879) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
PubChem CID170884879
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-2-21-17(20)16(19)11-12-4-3-5-14(10-12)13-6-8-15(18)9-7-13/h3-10,16H,2,11,19H2,1H3
InChIKeyQIASSGGPCNNLKT-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 91249652
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
butyl (2R)-2-amino-3-(3-fluorophenyl)propanoate
CID 118369971
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate (CID 170884879) is ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate is CCOC(=O)C(N)Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate?
The InChIKey is QIASSGGPCNNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-21-17(20)16(19)11-12-4-3-5-14(10-12)13-6-8-15(18)9-7-13/h3-10,16H,2,11,19H2,1H3.
What are the key properties of ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate?
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate has a molecular weight of 287.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate is sourced from PubChem (CID 170884879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).