(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid

C21H20N2O2S — CID 25014748

IUPAC(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)O
InChIInChI=1S/C21H20N2O2S/c22-19(20(24)25)15-26-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-23-14-12-18/h1-14,19H,15,22H2,(H,24,25)/t19-/m0/s1
InChIKeyHACLKTIXGPAMAV-IBGZPJMESA-N
MW364.47 g/mol
LogP3.52
Rot. Bonds7

About (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid

(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid (PubChem CID 25014748) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid
PubChem CID25014748
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)O
InChIInChI=1S/C21H20N2O2S/c22-19(20(24)25)15-26-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-23-14-12-18/h1-14,19H,15,22H2,(H,24,25)/t19-/m0/s1
InChIKeyHACLKTIXGPAMAV-IBGZPJMESA-N
XLogP3.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid (CID 25014748) is (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid?
The InChIKey is HACLKTIXGPAMAV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O2S/c22-19(20(24)25)15-26-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-23-14-12-18/h1-14,19H,15,22H2,(H,24,25)/t19-/m0/s1.
What are the key properties of (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid has a molecular weight of 364.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[diphenyl(pyridin-4-yl)methyl]sulfanylpropanoic acid is sourced from PubChem (CID 25014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).