azane;2-(1-carboxyethyldisulfanyl)propanoic acid

C6H16N2O4S2 — CID 173332153

IUPACazane;2-(1-carboxyethyldisulfanyl)propanoic acid
SMILESCC(SSC(C)C(=O)O)C(=O)O.N.N
InChIInChI=1S/C6H10O4S2.2H3N/c1-3(5(7)8)11-12-4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3
InChIKeyXGCRKRTZBJXLQS-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.64
Rot. Bonds5

About azane;2-(1-carboxyethyldisulfanyl)propanoic acid

azane;2-(1-carboxyethyldisulfanyl)propanoic acid (PubChem CID 173332153) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is azane;2-(1-carboxyethyldisulfanyl)propanoic acid.

Molecular Properties

Compound Nameazane;2-(1-carboxyethyldisulfanyl)propanoic acid
PubChem CID173332153
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC Nameazane;2-(1-carboxyethyldisulfanyl)propanoic acid
SMILESCC(SSC(C)C(=O)O)C(=O)O.N.N
InChIInChI=1S/C6H10O4S2.2H3N/c1-3(5(7)8)11-12-4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3
InChIKeyXGCRKRTZBJXLQS-UHFFFAOYSA-N
XLogP1.64
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;2-(1-carboxyethyldisulfanyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(trisulfanyl)propanoic acid
CID 140986532
2-methylpropanoic acid
CID 173073412
2-(methoxycarbonyldisulfanyl)propanoic acid
CID 130468897
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
(2S)-2-acetylsulfanylpropanoic acid
CID 10920663
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
2-(butyltrisulfanyl)propanoic acid
CID 175454153

Frequently Asked Questions

What is the IUPAC name of azane;2-(1-carboxyethyldisulfanyl)propanoic acid?
The IUPAC name of azane;2-(1-carboxyethyldisulfanyl)propanoic acid (CID 173332153) is azane;2-(1-carboxyethyldisulfanyl)propanoic acid.
What is the SMILES notation for azane;2-(1-carboxyethyldisulfanyl)propanoic acid?
The canonical SMILES for azane;2-(1-carboxyethyldisulfanyl)propanoic acid is CC(SSC(C)C(=O)O)C(=O)O.N.N.
What is the InChIKey of azane;2-(1-carboxyethyldisulfanyl)propanoic acid?
The InChIKey is XGCRKRTZBJXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2.2H3N/c1-3(5(7)8)11-12-4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3.
What are the key properties of azane;2-(1-carboxyethyldisulfanyl)propanoic acid?
azane;2-(1-carboxyethyldisulfanyl)propanoic acid has a molecular weight of 244.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(1-carboxyethyldisulfanyl)propanoic acid is sourced from PubChem (CID 173332153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).