ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

C19H21NO4 — CID 11001953

IUPACethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyCUKZFXPYGLVPOB-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds7

About ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (PubChem CID 11001953) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
PubChem CID11001953
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyCUKZFXPYGLVPOB-KRWDZBQOSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (CID 11001953) is ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1.
What is the InChIKey of ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The InChIKey is CUKZFXPYGLVPOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate has a molecular weight of 327.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 11001953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).