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

C20H25NO2S — CID 51356818

IUPAC(2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid
SMILESCCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15?,18-/m0/s1
InChIKeyAEXWHNCQYTYTMP-PKHIMPSTSA-N
MW343.49 g/mol
LogP4.12
Rot. Bonds8

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

(2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid (PubChem CID 51356818) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid
PubChem CID51356818
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid
SMILESCCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15?,18-/m0/s1
InChIKeyAEXWHNCQYTYTMP-PKHIMPSTSA-N
XLogP4.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.12
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-diphenylbutyl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid (CID 51356818) is (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid is CCC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
The InChIKey is AEXWHNCQYTYTMP-PKHIMPSTSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15?,18-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
(2R)-2-amino-3-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid has a molecular weight of 343.49 g/mol, XLogP of 4.12, 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-(2-methyl-1,1-diphenylbutyl)sulfanylpropanoic acid is sourced from PubChem (CID 51356818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).