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

C21H27NO2S — CID 51356819

IUPAC(2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid
SMILESCCC(CC)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2S/c1-3-16(4-2)21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-15-19(22)20(23)24/h5-14,16,19H,3-4,15,22H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyUPMORWMOEKXBSP-IBGZPJMESA-N
MW357.52 g/mol
LogP4.51
Rot. Bonds9

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

(2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid (PubChem CID 51356819) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid
PubChem CID51356819
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid
SMILESCCC(CC)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2S/c1-3-16(4-2)21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-15-19(22)20(23)24/h5-14,16,19H,3-4,15,22H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyUPMORWMOEKXBSP-IBGZPJMESA-N
XLogP4.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.51
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-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid (CID 51356819) is (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid is CCC(CC)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
The InChIKey is UPMORWMOEKXBSP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO2S/c1-3-16(4-2)21(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-15-19(22)20(23)24/h5-14,16,19H,3-4,15,22H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid?
(2R)-2-amino-3-(2-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid has a molecular weight of 357.52 g/mol, XLogP of 4.51, 9 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-ethyl-1,1-diphenylbutyl)sulfanylpropanoic acid is sourced from PubChem (CID 51356819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).