(R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid

C20H19NO2S2 — CID 53326599

IUPAC(2R)-2-amino-3-[diphenyl(thiophen-2-yl)methyl]sulfanylpropanoic acid
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CS3)SC[C@@H](C(=O)O)N
InChIInChI=1S/C20H19NO2S2/c21-17(19(22)23)14-25-20(18-12-7-13-24-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14,21H2,(H,22,23)/t17-/m0/s1
InChIKeyOPUAGXNQMHFBBE-KRWDZBQOSA-N
MW369.50 g/mol
LogP1.70
Rot. Bonds7

About (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid

(R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid (PubChem CID 53326599) has the molecular formula C20H19NO2S2 and a molecular weight of 369.50 g/mol. Its IUPAC name is (2R)-2-amino-3-[diphenyl(thiophen-2-yl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid
PubChem CID53326599
Molecular FormulaC20H19NO2S2
Molecular Weight369.50 g/mol
Exact Mass369.09
IUPAC Name(2R)-2-amino-3-[diphenyl(thiophen-2-yl)methyl]sulfanylpropanoic acid
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CS3)SC[C@@H](C(=O)O)N
InChIInChI=1S/C20H19NO2S2/c21-17(19(22)23)14-25-20(18-12-7-13-24-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14,21H2,(H,22,23)/t17-/m0/s1
InChIKeyOPUAGXNQMHFBBE-KRWDZBQOSA-N
XLogP1.70
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

S-Trityl-L-Cysteine
CID 76044
Cysteine, S-diphenylmethyl-, L-
CID 21261
Tritylthioalanine
CID 256411
(2R)-2-amino-3-[(1,1-diphenylpropyl)sulfanyl]propanoic acid
CID 24806224
(2R)-2-amino-3-[(1,1-diphenylpentyl)sulfanyl]propanoic acid
CID 24806225
(2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfanyl]propanoic acid
CID 24806226
(2R)-2-amino-3-[(cyclohexyldiphenylmethyl)sulfanyl]propanoic acid
CID 24806227
S-Trityl-D-Cysteine
CID 7271796
(2R)-2-amino-3-[(1,1-diphenylethyl)sulfanyl]propanoic acid
CID 24860487
S-(1,1-Diphenyl[4-thiomethylphenyl]methyl)-L-cysteine
CID 51356816
S-(2-Methyl-1,1-diphenylbutyl)-L-cysteine
CID 51356818
S-(2-Ethyl-1,1-diphenylbutyl)-L-cysteine
CID 51356819

Frequently Asked Questions

What is the IUPAC name of (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid?
The IUPAC name of (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid (CID 53326599) is (2R)-2-amino-3-[diphenyl(thiophen-2-yl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid?
The canonical SMILES for (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid is C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CS3)SC[C@@H](C(=O)O)N.
What is the InChIKey of (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid?
The InChIKey is OPUAGXNQMHFBBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19NO2S2/c21-17(19(22)23)14-25-20(18-12-7-13-24-18,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14,21H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid?
(R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid has a molecular weight of 369.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-amino-3-(diphenyl(thiophen-2-yl)methylthio)propanoic acid is sourced from PubChem (CID 53326599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).