(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid

C22H19NO3 — CID 10617505

IUPAC(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-20(22(25)26)15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyHWLNAJHPYNDARJ-HXUWFJFHSA-N
MW345.40 g/mol
LogP3.78
Rot. Bonds6

About (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid

(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid (PubChem CID 10617505) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid
PubChem CID10617505
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-20(22(25)26)15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)/t20-/m1/s1
InChIKeyHWLNAJHPYNDARJ-HXUWFJFHSA-N
XLogP3.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid (CID 10617505) is (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid?
The InChIKey is HWLNAJHPYNDARJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(23-20(22(25)26)15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid has a molecular weight of 345.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 10617505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).