(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid

C19H21NO4 — CID 134612344

IUPAC(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)NC[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(14-8-10-16(24-2)11-9-14)18(21)20-12-17(19(22)23)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m0/s1
InChIKeyYUJGPHXQZNCVHR-RUINGEJQSA-N
MW327.38 g/mol
LogP2.78
Rot. Bonds7

About (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid

(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid (PubChem CID 134612344) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid
PubChem CID134612344
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)NC[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(14-8-10-16(24-2)11-9-14)18(21)20-12-17(19(22)23)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m0/s1
InChIKeyYUJGPHXQZNCVHR-RUINGEJQSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid (CID 134612344) is (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid is COc1ccc(C(C)C(=O)NC[C@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid?
The InChIKey is YUJGPHXQZNCVHR-RUINGEJQSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(14-8-10-16(24-2)11-9-14)18(21)20-12-17(19(22)23)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m0/s1.
What are the key properties of (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid?
(2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-(4-methoxyphenyl)propanoylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 134612344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).