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

C23H23NO3S — CID 21144473

IUPAC(2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(15-25)12-14-20/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-/m0/s1
InChIKeyNYCFZGXVZKOYSP-NRFANRHFSA-N
MW393.51 g/mol
LogP3.62
Rot. Bonds8

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

(2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid (PubChem CID 21144473) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid
PubChem CID21144473
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(15-25)12-14-20/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-/m0/s1
InChIKeyNYCFZGXVZKOYSP-NRFANRHFSA-N
XLogP3.62
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid (CID 21144473) is (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid?
The InChIKey is NYCFZGXVZKOYSP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(15-25)12-14-20/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid has a molecular weight of 393.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[4-(hydroxymethyl)phenyl]-diphenylmethyl]sulfanylpropanoic acid is sourced from PubChem (CID 21144473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).