(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-benzyl-L-cysteine
CID 193613
S-Trityl-L-Cysteine
CID 76044
Cysteine, S-diphenylmethyl-, L-
CID 21261
Tritylthioalanine
CID 256411
H-D-Cys(Bzl)-OH
CID 76454
(R)-methyl 2-amino-3-(tritylthio)propanoate
CID 10429690
S-Benzyl-L-homocysteine
CID 11736265
S-Trityl-D-Cysteine
CID 7271796
(2r)-2-Amino-3-[(4-Chlorophenyl)-Diphenyl-Methyl]sulfanyl-Propanoic Acid
CID 21140145
(2R)-2-amino-3-{[bis(4-methylphenyl)(phenyl)methyl]sulfanyl}propanoic acid
CID 21140146
(2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sulfanyl]propanoic acid
CID 21144445
(2R)-2-amino-3-[(1,1-diphenylpropyl)sulfanyl]propanoic acid
CID 24806224

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).