ethyl (2S)-2-anilino-3-phenylpropanoate

C17H19NO2 — CID 11288666

IUPACethyl (2S)-2-anilino-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1
InChIKeyLASMFNKPIXWZES-INIZCTEOSA-N
MW269.34 g/mol
LogP3.27
Rot. Bonds6

About ethyl (2S)-2-anilino-3-phenylpropanoate

ethyl (2S)-2-anilino-3-phenylpropanoate (PubChem CID 11288666) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl (2S)-2-anilino-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-anilino-3-phenylpropanoate
PubChem CID11288666
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl (2S)-2-anilino-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1
InChIKeyLASMFNKPIXWZES-INIZCTEOSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-anilino-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-anilino-3-phenylpropanoate (CID 11288666) is ethyl (2S)-2-anilino-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-anilino-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-anilino-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of ethyl (2S)-2-anilino-3-phenylpropanoate?
The InChIKey is LASMFNKPIXWZES-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-anilino-3-phenylpropanoate?
ethyl (2S)-2-anilino-3-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-anilino-3-phenylpropanoate is sourced from PubChem (CID 11288666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).