(2R)-2-acetamido-3-tritylsulfanylpropanoic acid

C24H23NO3S — CID 7408363

IUPAC(2R)-2-acetamido-3-tritylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO3S/c1-18(26)25-22(23(27)28)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyKCVPASSMLHHOIF-QFIPXVFZSA-N
MW405.52 g/mol
LogP4.30
Rot. Bonds8

About (2R)-2-acetamido-3-tritylsulfanylpropanoic acid

(2R)-2-acetamido-3-tritylsulfanylpropanoic acid (PubChem CID 7408363) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2R)-2-acetamido-3-tritylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-tritylsulfanylpropanoic acid
PubChem CID7408363
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(2R)-2-acetamido-3-tritylsulfanylpropanoic acid
SMILESCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H23NO3S/c1-18(26)25-22(23(27)28)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKeyKCVPASSMLHHOIF-QFIPXVFZSA-N
XLogP4.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.30
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-acetamido-3-tritylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-tritylsulfanylpropanoic acid (CID 7408363) is (2R)-2-acetamido-3-tritylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-tritylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-tritylsulfanylpropanoic acid is CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-tritylsulfanylpropanoic acid?
The InChIKey is KCVPASSMLHHOIF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-18(26)25-22(23(27)28)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-tritylsulfanylpropanoic acid?
(2R)-2-acetamido-3-tritylsulfanylpropanoic acid has a molecular weight of 405.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-tritylsulfanylpropanoic acid is sourced from PubChem (CID 7408363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).