4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid

C9H15NO2S3 — CID 143888029

IUPAC4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid
SMILESN/C=C\C=C/CSSCCC(S)C(=O)O
InChIInChI=1S/C9H15NO2S3/c10-5-2-1-3-6-14-15-7-4-8(13)9(11)12/h1-3,5,8,13H,4,6-7,10H2,(H,11,12)/b3-1-,5-2-
InChIKeyGGHHVSJQIRNUSG-LEWNYYKSSA-N
MW265.42 g/mol
LogP2.17
Rot. Bonds8

About 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid

4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid (PubChem CID 143888029) has the molecular formula C9H15NO2S3 and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid.

Molecular Properties

Compound Name4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid
PubChem CID143888029
Molecular FormulaC9H15NO2S3
Molecular Weight265.42 g/mol
Exact Mass265.03
IUPAC Name4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid
SMILESN/C=C\C=C/CSSCCC(S)C(=O)O
InChIInChI=1S/C9H15NO2S3/c10-5-2-1-3-6-14-15-7-4-8(13)9(11)12/h1-3,5,8,13H,4,6-7,10H2,(H,11,12)/b3-1-,5-2-
InChIKeyGGHHVSJQIRNUSG-LEWNYYKSSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid?
The IUPAC name of 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid (CID 143888029) is 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid.
What is the SMILES notation for 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid?
The canonical SMILES for 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid is N/C=C\C=C/CSSCCC(S)C(=O)O.
What is the InChIKey of 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid?
The InChIKey is GGHHVSJQIRNUSG-LEWNYYKSSA-N. The full InChI is InChI=1S/C9H15NO2S3/c10-5-2-1-3-6-14-15-7-4-8(13)9(11)12/h1-3,5,8,13H,4,6-7,10H2,(H,11,12)/b3-1-,5-2-.
What are the key properties of 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid?
4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid has a molecular weight of 265.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z,4Z)-5-aminopenta-2,4-dienyl]disulfanyl]-2-sulfanylbutanoic acid is sourced from PubChem (CID 143888029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).