(4R)-4-amino-4-methylsulfanylbutanoic acid

C5H11NO2S — CID 57073835

IUPAC(4R)-4-amino-4-methylsulfanylbutanoic acid
SMILESCS[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO2S/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyKFDODHWJTKTADJ-SCSAIBSYSA-N
MW149.22 g/mol
LogP0.50
Rot. Bonds4

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

(4R)-4-amino-4-methylsulfanylbutanoic acid (PubChem CID 57073835) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (4R)-4-amino-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-methylsulfanylbutanoic acid
PubChem CID57073835
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(4R)-4-amino-4-methylsulfanylbutanoic acid
SMILESCS[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO2S/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyKFDODHWJTKTADJ-SCSAIBSYSA-N
XLogP0.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-methylsulfanylbutanoic acid?
The IUPAC name of (4R)-4-amino-4-methylsulfanylbutanoic acid (CID 57073835) is (4R)-4-amino-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (4R)-4-amino-4-methylsulfanylbutanoic acid?
The canonical SMILES for (4R)-4-amino-4-methylsulfanylbutanoic acid is CS[C@@H](N)CCC(=O)O.
What is the InChIKey of (4R)-4-amino-4-methylsulfanylbutanoic acid?
The InChIKey is KFDODHWJTKTADJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (4R)-4-amino-4-methylsulfanylbutanoic acid?
(4R)-4-amino-4-methylsulfanylbutanoic acid has a molecular weight of 149.22 g/mol, XLogP of 0.50, 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-methylsulfanylbutanoic acid is sourced from PubChem (CID 57073835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).