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

C17H19NO2S — CID 24860487

IUPAC(2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid
SMILESCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(13-8-4-2-5-9-13,14-10-6-3-7-11-14)21-12-15(18)16(19)20/h2-11,15H,12,18H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeySXFQMUKBDQWLIZ-HNNXBMFYSA-N
MW301.41 g/mol
LogP3.10
Rot. Bonds6

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

(2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid (PubChem CID 24860487) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid
PubChem CID24860487
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid
SMILESCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(13-8-4-2-5-9-13,14-10-6-3-7-11-14)21-12-15(18)16(19)20/h2-11,15H,12,18H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeySXFQMUKBDQWLIZ-HNNXBMFYSA-N
XLogP3.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid (CID 24860487) is (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid is CC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid?
The InChIKey is SXFQMUKBDQWLIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-17(13-8-4-2-5-9-13,14-10-6-3-7-11-14)21-12-15(18)16(19)20/h2-11,15H,12,18H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid?
(2R)-2-amino-3-(1,1-diphenylethylsulfanyl)propanoic acid has a molecular weight of 301.41 g/mol, XLogP of 3.10, 6 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-diphenylethylsulfanyl)propanoic acid is sourced from PubChem (CID 24860487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).