(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid

C25H27NO2S — CID 24860499

IUPAC(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid
SMILESCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyGLGZDJARSLSKDT-QHCPKHFHSA-N
MW405.56 g/mol
LogP5.05
Rot. Bonds7

About (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid (PubChem CID 24860499) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid
PubChem CID24860499
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid
SMILESCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)/t23-/m0/s1
InChIKeyGLGZDJARSLSKDT-QHCPKHFHSA-N
XLogP5.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid (CID 24860499) is (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid is Cc1ccc(C(SC[C@H](N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid?
The InChIKey is GLGZDJARSLSKDT-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)/t23-/m0/s1.
What are the key properties of (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid has a molecular weight of 405.56 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[tris(4-methylphenyl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 24860499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).