(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid

C19H21NO4 — CID 97221650

IUPAC(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCCOc1ccc(CC(=O)NC[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-16-10-8-14(9-11-16)12-18(21)20-13-17(19(22)23)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyZWSCAUTXIKZWMH-QGZVFWFLSA-N
MW327.38 g/mol
LogP2.61
Rot. Bonds8

About (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid

(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 97221650) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID97221650
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCCOc1ccc(CC(=O)NC[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-16-10-8-14(9-11-16)12-18(21)20-13-17(19(22)23)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyZWSCAUTXIKZWMH-QGZVFWFLSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221649
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[2,2-bis(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 131702564
2-(4-ethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
CID 90598744
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid (CID 97221650) is (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid is CCOc1ccc(CC(=O)NC[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is ZWSCAUTXIKZWMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-16-10-8-14(9-11-16)12-18(21)20-13-17(19(22)23)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid?
(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 97221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).