2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate

C12H24N2O6S2 — CID 102382707

IUPAC2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESN[C@@H](CS)C(=O)OCCOCCOCCOC(=O)[C@@H](N)CS
InChIInChI=1S/C12H24N2O6S2/c13-9(7-21)11(15)19-5-3-17-1-2-18-4-6-20-12(16)10(14)8-22/h9-10,21-22H,1-8,13-14H2/t9-,10-/m0/s1
InChIKeyVKJMFCMZLXAGES-UWVGGRQHSA-N
MW356.47 g/mol
LogP-1.38
Rot. Bonds13

About 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate

2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 102382707) has the molecular formula C12H24N2O6S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Name2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
PubChem CID102382707
Molecular FormulaC12H24N2O6S2
Molecular Weight356.47 g/mol
Exact Mass356.11
IUPAC Name2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESN[C@@H](CS)C(=O)OCCOCCOCCOC(=O)[C@@H](N)CS
InChIInChI=1S/C12H24N2O6S2/c13-9(7-21)11(15)19-5-3-17-1-2-18-4-6-20-12(16)10(14)8-22/h9-10,21-22H,1-8,13-14H2/t9-,10-/m0/s1
InChIKeyVKJMFCMZLXAGES-UWVGGRQHSA-N
XLogP-1.38
TPSA123.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate with MolForge

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Related Compounds

2-butoxyethyl (2R)-2-amino-3-sulfanylpropanoate
CID 107774143
3,3-dihydroxypropyl (2R)-2-amino-3-sulfanylpropanoate
CID 57042627
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropyl 2-methylprop-2-enoate
CID 174784768
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
2-(2-sulfanylethoxy)ethyl 2-methylpropanoate
CID 121415381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate (CID 102382707) is 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate is N[C@@H](CS)C(=O)OCCOCCOCCOC(=O)[C@@H](N)CS.
What is the InChIKey of 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is VKJMFCMZLXAGES-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24N2O6S2/c13-9(7-21)11(15)19-5-3-17-1-2-18-4-6-20-12(16)10(14)8-22/h9-10,21-22H,1-8,13-14H2/t9-,10-/m0/s1.
What are the key properties of 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate?
2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 356.47 g/mol, XLogP of -1.38, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 102382707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).