methyl (2R)-2-amino-3-tritylsulfanylpropanoate

C23H23NO2S — CID 10429690

IUPACmethyl (2R)-2-amino-3-tritylsulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1
InChIKeyDXUZZMIANHJYIU-NRFANRHFSA-N
MW377.51 g/mol
LogP4.21
Rot. Bonds7

About methyl (2R)-2-amino-3-tritylsulfanylpropanoate

methyl (2R)-2-amino-3-tritylsulfanylpropanoate (PubChem CID 10429690) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-tritylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-tritylsulfanylpropanoate
PubChem CID10429690
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Namemethyl (2R)-2-amino-3-tritylsulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1
InChIKeyDXUZZMIANHJYIU-NRFANRHFSA-N
XLogP4.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
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 methyl (2R)-2-amino-3-tritylsulfanylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3-tritylsulfanylpropanoate (CID 10429690) is methyl (2R)-2-amino-3-tritylsulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-tritylsulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3-tritylsulfanylpropanoate is COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-amino-3-tritylsulfanylpropanoate?
The InChIKey is DXUZZMIANHJYIU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1.
What are the key properties of methyl (2R)-2-amino-3-tritylsulfanylpropanoate?
methyl (2R)-2-amino-3-tritylsulfanylpropanoate has a molecular weight of 377.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-tritylsulfanylpropanoate is sourced from PubChem (CID 10429690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).