3-(aminodisulfanyl)propanoic acid

C3H7NO2S2 — CID 175169400

IUPAC3-(aminodisulfanyl)propanoic acid
SMILESNSSCCC(=O)O
InChIInChI=1S/C3H7NO2S2/c4-8-7-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeySWGDGDMXLBAXSD-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.72
Rot. Bonds4

About 3-(aminodisulfanyl)propanoic acid

3-(aminodisulfanyl)propanoic acid (PubChem CID 175169400) has the molecular formula C3H7NO2S2 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(aminodisulfanyl)propanoic acid.

Molecular Properties

Compound Name3-(aminodisulfanyl)propanoic acid
PubChem CID175169400
Molecular FormulaC3H7NO2S2
Molecular Weight153.23 g/mol
Exact Mass152.99
IUPAC Name3-(aminodisulfanyl)propanoic acid
SMILESNSSCCC(=O)O
InChIInChI=1S/C3H7NO2S2/c4-8-7-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeySWGDGDMXLBAXSD-UHFFFAOYSA-N
XLogP0.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;3-(2-carboxyethylsulfanyl)propanoic acid;hydride
CID 173005552
bis(butanedioic acid);hydroxylamine
CID 174855273
3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 54060780
CID 58386247
CID 58386247
3-(hydroxymethylsulfanyl)propanoic acid
CID 54452480
5-(4-carboxybutyldisulfanyl)pentanoic acid
CID 21330220
3-(2-carboxyethylsulfanyl)propanoic acid;2-sulfanylacetic acid
CID 174828911
3-(3-hydroperoxypropyldisulfanyl)propanoic acid
CID 167337902
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629

Frequently Asked Questions

What is the IUPAC name of 3-(aminodisulfanyl)propanoic acid?
The IUPAC name of 3-(aminodisulfanyl)propanoic acid (CID 175169400) is 3-(aminodisulfanyl)propanoic acid.
What is the SMILES notation for 3-(aminodisulfanyl)propanoic acid?
The canonical SMILES for 3-(aminodisulfanyl)propanoic acid is NSSCCC(=O)O.
What is the InChIKey of 3-(aminodisulfanyl)propanoic acid?
The InChIKey is SWGDGDMXLBAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S2/c4-8-7-2-1-3(5)6/h1-2,4H2,(H,5,6).
What are the key properties of 3-(aminodisulfanyl)propanoic acid?
3-(aminodisulfanyl)propanoic acid has a molecular weight of 153.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodisulfanyl)propanoic acid is sourced from PubChem (CID 175169400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).