(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid

C24H25NO2 — CID 57325589

IUPAC(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid
SMILESCc1cccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyJXIGVUPYYZGRRZ-QFIPXVFZSA-N
MW359.47 g/mol
LogP4.52
Rot. Bonds7

About (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid

(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid (PubChem CID 57325589) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid
PubChem CID57325589
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid
SMILESCc1cccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyJXIGVUPYYZGRRZ-QFIPXVFZSA-N
XLogP4.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic 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 (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid?
The IUPAC name of (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid (CID 57325589) is (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid is Cc1cccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid?
The InChIKey is JXIGVUPYYZGRRZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid?
(2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid has a molecular weight of 359.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid is sourced from PubChem (CID 57325589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).