(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid

C23H23NO2S — CID 66572322

IUPAC(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid
SMILESN[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H23NO2S/c24-21(22(25)26)17-27-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)16-18-10-4-1-5-11-18/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m0/s1
InChIKeyRDLFTIVVLBBTMX-NRFANRHFSA-N
MW377.51 g/mol
LogP4.32
Rot. Bonds8

About (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid

(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid (PubChem CID 66572322) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid
PubChem CID66572322
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid
SMILESN[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H23NO2S/c24-21(22(25)26)17-27-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)16-18-10-4-1-5-11-18/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m0/s1
InChIKeyRDLFTIVVLBBTMX-NRFANRHFSA-N
XLogP4.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2R)-2-amino-3-[naphthalen-1-yl(diphenyl)methyl]sulfanylpropanoic acid
CID 24860488
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
(2-phenylacetyl) (2R)-2-amino-3-tritylsulfanylpropanoate
CID 56614370
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid (CID 66572322) is (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid is N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid?
The InChIKey is RDLFTIVVLBBTMX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO2S/c24-21(22(25)26)17-27-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)16-18-10-4-1-5-11-18/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid?
(2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid has a molecular weight of 377.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1,1,2-triphenylethylsulfanyl)propanoic acid is sourced from PubChem (CID 66572322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).