(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid

C26H23NO2S — CID 24860488

IUPAC(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(20-12-3-1-4-13-20,21-14-5-2-6-15-21)23-17-9-11-19-10-7-8-16-22(19)23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
InChIKeyWUEMKWIMYPFRNV-DEOSSOPVSA-N
MW413.54 g/mol
LogP5.28
Rot. Bonds7

About (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid

(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid (PubChem CID 24860488) has the molecular formula C26H23NO2S and a molecular weight of 413.54 g/mol. Its IUPAC name is (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
PubChem CID24860488
Molecular FormulaC26H23NO2S
Molecular Weight413.54 g/mol
Exact Mass413.14
IUPAC Name(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(20-12-3-1-4-13-20,21-14-5-2-6-15-21)23-17-9-11-19-10-7-8-16-22(19)23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
InChIKeyWUEMKWIMYPFRNV-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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Related Compounds

(2R)-2-amino-3-[(2-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 67126813
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
CID 51356551
(2R)-2-amino-3-[(4-hydroxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 24860496
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
CID 24860491
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid
CID 66572322
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanamide
CID 71170093

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid (CID 24860488) is (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid?
The InChIKey is WUEMKWIMYPFRNV-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(20-12-3-1-4-13-20,21-14-5-2-6-15-21)23-17-9-11-19-10-7-8-16-22(19)23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1.
What are the key properties of (2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[naphthalen-1-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-1-yl(diphenyl)methyl]sulfanylpropanoic acid is sourced from PubChem (CID 24860488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).