(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid

C23H23NO2S — CID 24860495

IUPAC(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyZPXQDWLBSHVOEI-NRFANRHFSA-N
MW377.51 g/mol
LogP4.43
Rot. Bonds7

About (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid (PubChem CID 24860495) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid
PubChem CID24860495
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyZPXQDWLBSHVOEI-NRFANRHFSA-N
XLogP4.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.43
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-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid (CID 24860495) is (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid is Cc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The InChIKey is ZPXQDWLBSHVOEI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid has a molecular weight of 377.51 g/mol, XLogP of 4.43, 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-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid is sourced from PubChem (CID 24860495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).