(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid

C26H23NO2S — CID 21144445

IUPAC(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
InChIKeyBCBSYXGYLMMICN-DEOSSOPVSA-N
MW413.54 g/mol
LogP5.28
Rot. Bonds7

About (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid

(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid (PubChem CID 21144445) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid
PubChem CID21144445
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
InChIKeyBCBSYXGYLMMICN-DEOSSOPVSA-N
XLogP5.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 55.28
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-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid (CID 21144445) is (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid?
The InChIKey is BCBSYXGYLMMICN-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1.
What are the key properties of (2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid has a molecular weight of 413.54 g/mol, XLogP of 5.28, 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-[naphthalen-2-yl(diphenyl)methyl]sulfanylpropanoic acid is sourced from PubChem (CID 21144445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).