(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid

C19H23NO2S — CID 24806226

IUPAC(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid
SMILESCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyYJEZILVMRUAWJY-KRWDZBQOSA-N
MW329.47 g/mol
LogP3.73
Rot. Bonds7

About (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid

(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid (PubChem CID 24806226) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid
PubChem CID24806226
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid
SMILESCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyYJEZILVMRUAWJY-KRWDZBQOSA-N
XLogP3.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.73
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-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid (CID 24806226) is (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid is CC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid?
The InChIKey is YJEZILVMRUAWJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid?
(2R)-2-amino-3-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid has a molecular weight of 329.47 g/mol, XLogP of 3.73, 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-(2-methyl-1,1-diphenylpropyl)sulfanylpropanoic acid is sourced from PubChem (CID 24806226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).