(2S)-2-azaniumyl-4-methylsulfanylbutanoate

C5H11NO2S — CID 6992087

💊View drug profile → methionine
IUPAC(2S)-2-azaniumyl-4-methylsulfanylbutanoate
SMILESCSCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
MW149.22 g/mol
LogP-1.90
Rot. Bonds4

About (2S)-2-azaniumyl-4-methylsulfanylbutanoate

(2S)-2-azaniumyl-4-methylsulfanylbutanoate (PubChem CID 6992087) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (2S)-2-azaniumyl-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-4-methylsulfanylbutanoate
PubChem CID6992087
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(2S)-2-azaniumyl-4-methylsulfanylbutanoate
SMILESCSCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
XLogP-1.90
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumyl-4-methylsulfanylbutanoate?
The IUPAC name of (2S)-2-azaniumyl-4-methylsulfanylbutanoate (CID 6992087) is (2S)-2-azaniumyl-4-methylsulfanylbutanoate.
What is the SMILES notation for (2S)-2-azaniumyl-4-methylsulfanylbutanoate?
The canonical SMILES for (2S)-2-azaniumyl-4-methylsulfanylbutanoate is CSCC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-4-methylsulfanylbutanoate?
The InChIKey is FFEARJCKVFRZRR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-4-methylsulfanylbutanoate?
(2S)-2-azaniumyl-4-methylsulfanylbutanoate has a molecular weight of 149.22 g/mol, XLogP of -1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-4-methylsulfanylbutanoate is sourced from PubChem (CID 6992087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).