(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid

C16H17NO2S — CID 21261

IUPAC(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1
InChIKeySHOGZCIBPYFZRP-AWEZNQCLSA-N
MW287.38 g/mol
LogP2.92
Rot. Bonds6

About (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid

(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid (PubChem CID 21261) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid
PubChem CID21261
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1
InChIKeySHOGZCIBPYFZRP-AWEZNQCLSA-N
XLogP2.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.92
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-benzhydrylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid (CID 21261) is (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid?
The InChIKey is SHOGZCIBPYFZRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid?
(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid has a molecular weight of 287.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-benzhydrylsulfanylpropanoic acid is sourced from PubChem (CID 21261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).