(2S)-2-amino-3-tritylsulfanylpropanoic acid

C22H21NO2S — CID 7271796

IUPAC(2S)-2-amino-3-tritylsulfanylpropanoic acid
SMILESN[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m1/s1
InChIKeyDLMYFMLKORXJPO-HXUWFJFHSA-N
MW363.48 g/mol
LogP4.12
Rot. Bonds7

About (2S)-2-amino-3-tritylsulfanylpropanoic acid

(2S)-2-amino-3-tritylsulfanylpropanoic acid (PubChem CID 7271796) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2S)-2-amino-3-tritylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-tritylsulfanylpropanoic acid
PubChem CID7271796
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name(2S)-2-amino-3-tritylsulfanylpropanoic acid
SMILESN[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m1/s1
InChIKeyDLMYFMLKORXJPO-HXUWFJFHSA-N
XLogP4.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.12
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 (2S)-2-amino-3-tritylsulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-tritylsulfanylpropanoic acid (CID 7271796) is (2S)-2-amino-3-tritylsulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-tritylsulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-tritylsulfanylpropanoic acid is N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-tritylsulfanylpropanoic acid?
The InChIKey is DLMYFMLKORXJPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m1/s1.
What are the key properties of (2S)-2-amino-3-tritylsulfanylpropanoic acid?
(2S)-2-amino-3-tritylsulfanylpropanoic acid has a molecular weight of 363.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-tritylsulfanylpropanoic acid is sourced from PubChem (CID 7271796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).