iodo (2S)-2-amino-4-methylsulfanylbutanoate

C5H10INO2S — CID 18444120

IUPACiodo (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N)C(=O)OI
InChIInChI=1S/C5H10INO2S/c1-10-3-2-4(7)5(8)9-6/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyDXFXTTJMJPLYRH-BYPYZUCNSA-N
MW275.11 g/mol
LogP0.96
Rot. Bonds4

About iodo (2S)-2-amino-4-methylsulfanylbutanoate

iodo (2S)-2-amino-4-methylsulfanylbutanoate (PubChem CID 18444120) has the molecular formula C5H10INO2S and a molecular weight of 275.11 g/mol. Its IUPAC name is iodo (2S)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Nameiodo (2S)-2-amino-4-methylsulfanylbutanoate
PubChem CID18444120
Molecular FormulaC5H10INO2S
Molecular Weight275.11 g/mol
Exact Mass274.95
IUPAC Nameiodo (2S)-2-amino-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N)C(=O)OI
InChIInChI=1S/C5H10INO2S/c1-10-3-2-4(7)5(8)9-6/h4H,2-3,7H2,1H3/t4-/m0/s1
InChIKeyDXFXTTJMJPLYRH-BYPYZUCNSA-N
XLogP0.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
amino (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 141292126
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
2,3-diaminopropanoyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 88794349
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-methylsulfanylbutanoic acid
CID 876
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496

Frequently Asked Questions

What is the IUPAC name of iodo (2S)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of iodo (2S)-2-amino-4-methylsulfanylbutanoate (CID 18444120) is iodo (2S)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for iodo (2S)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for iodo (2S)-2-amino-4-methylsulfanylbutanoate is CSCC[C@H](N)C(=O)OI.
What is the InChIKey of iodo (2S)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is DXFXTTJMJPLYRH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10INO2S/c1-10-3-2-4(7)5(8)9-6/h4H,2-3,7H2,1H3/t4-/m0/s1.
What are the key properties of iodo (2S)-2-amino-4-methylsulfanylbutanoate?
iodo (2S)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 275.11 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo (2S)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 18444120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).