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

C19H21NO3 — CID 14186402

IUPAC(2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
SMILESCC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyCMPHSKQRGJSKJX-QGZVFWFLSA-N
MW311.38 g/mol
LogP3.24
Rot. Bonds6

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

(2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid (PubChem CID 14186402) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
PubChem CID14186402
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
SMILESCC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyCMPHSKQRGJSKJX-QGZVFWFLSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid (CID 14186402) is (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid is CC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
The InChIKey is CMPHSKQRGJSKJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(4-propan-2-ylbenzoyl)amino]propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.24, 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-propan-2-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 14186402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).