(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid

C8H17NO4S2 — CID 106725277

IUPAC(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid
SMILESCCCS(=O)(=O)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO4S2/c1-2-4-15(12,13)5-3-14-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyLCGFLBQBDUGLGC-ZETCQYMHSA-N
MW255.36 g/mol
LogP-0.04
Rot. Bonds8

About (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid

(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid (PubChem CID 106725277) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid
PubChem CID106725277
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC Name(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid
SMILESCCCS(=O)(=O)CCSC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO4S2/c1-2-4-15(12,13)5-3-14-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyLCGFLBQBDUGLGC-ZETCQYMHSA-N
XLogP-0.04
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-ethylsulfonylethylsulfanyl)propanoic acid
CID 43807856
2-amino-3-(2-sulfoethylsulfanyl)propanoic acid
CID 656459
(2R)-2-amino-3-(2-sulfoethylsulfanyl)propanoic acid
CID 25202009
(2S)-2-amino-3-(2-propoxyethylsulfanyl)propanoic acid
CID 107773252
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
CID 61149860
(2R)-2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propanoic acid
CID 104563565
2-amino-3-(2-aminoethylsulfanyl)propanoic acid chloride
CID 5458409
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
(2R)-2-amino-3-(3,3-dimethylbutylsulfanyl)propanoic acid
CID 61147258
2-amino-4-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 60917450
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid (CID 106725277) is (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid is CCCS(=O)(=O)CCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid?
The InChIKey is LCGFLBQBDUGLGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-2-4-15(12,13)5-3-14-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid?
(2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-propylsulfonylethylsulfanyl)propanoic acid is sourced from PubChem (CID 106725277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).