(4R)-4-amino-4-methylsulfinylbutanoic acid

C5H11NO3S — CID 90790707

IUPAC(4R)-4-amino-4-methylsulfinylbutanoic acid
SMILESCS(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10(9)4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1
InChIKeySKVAZFQLCUPQBE-CQIZIWTCSA-N
MW165.21 g/mol
LogP-0.49
Rot. Bonds4

About (4R)-4-amino-4-methylsulfinylbutanoic acid

(4R)-4-amino-4-methylsulfinylbutanoic acid (PubChem CID 90790707) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (4R)-4-amino-4-methylsulfinylbutanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-methylsulfinylbutanoic acid
PubChem CID90790707
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(4R)-4-amino-4-methylsulfinylbutanoic acid
SMILESCS(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10(9)4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1
InChIKeySKVAZFQLCUPQBE-CQIZIWTCSA-N
XLogP-0.49
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-methylsulfinylbutanoic acid?
The IUPAC name of (4R)-4-amino-4-methylsulfinylbutanoic acid (CID 90790707) is (4R)-4-amino-4-methylsulfinylbutanoic acid.
What is the SMILES notation for (4R)-4-amino-4-methylsulfinylbutanoic acid?
The canonical SMILES for (4R)-4-amino-4-methylsulfinylbutanoic acid is CS(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4R)-4-amino-4-methylsulfinylbutanoic acid?
The InChIKey is SKVAZFQLCUPQBE-CQIZIWTCSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10(9)4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1.
What are the key properties of (4R)-4-amino-4-methylsulfinylbutanoic acid?
(4R)-4-amino-4-methylsulfinylbutanoic acid has a molecular weight of 165.21 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-methylsulfinylbutanoic acid is sourced from PubChem (CID 90790707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).