(2R)-2-benzamido-3-methylsulfanylpropanoic acid

C11H13NO3S — CID 92833219

IUPAC(2R)-2-benzamido-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3S/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyYOHNCCKDTALPLD-VIFPVBQESA-N
MW239.30 g/mol
LogP1.23
Rot. Bonds5

About (2R)-2-benzamido-3-methylsulfanylpropanoic acid

(2R)-2-benzamido-3-methylsulfanylpropanoic acid (PubChem CID 92833219) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2R)-2-benzamido-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-benzamido-3-methylsulfanylpropanoic acid
PubChem CID92833219
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(2R)-2-benzamido-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3S/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyYOHNCCKDTALPLD-VIFPVBQESA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamido-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-benzamido-3-methylsulfanylpropanoic acid (CID 92833219) is (2R)-2-benzamido-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-benzamido-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-benzamido-3-methylsulfanylpropanoic acid is CSC[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-benzamido-3-methylsulfanylpropanoic acid?
The InChIKey is YOHNCCKDTALPLD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO3S/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-2-benzamido-3-methylsulfanylpropanoic acid?
(2R)-2-benzamido-3-methylsulfanylpropanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 92833219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).