potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid

C6H10KNO4S2 — CID 164901844

IUPACpotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
SMILESCC(O)C(=O)NC(CS[S-])C(=O)O.[K+]
InChIInChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1
InChIKeyAVELXOBIJVHNMJ-UHFFFAOYSA-M
MW263.38 g/mol
LogP-3.86
Rot. Bonds5

About potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid

potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid (PubChem CID 164901844) has the molecular formula C6H10KNO4S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid.

Molecular Properties

Compound Namepotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
PubChem CID164901844
Molecular FormulaC6H10KNO4S2
Molecular Weight263.38 g/mol
Exact Mass262.97
IUPAC Namepotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
SMILESCC(O)C(=O)NC(CS[S-])C(=O)O.[K+]
InChIInChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1
InChIKeyAVELXOBIJVHNMJ-UHFFFAOYSA-M
XLogP-3.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 5-3.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic 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

(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
4-ethylsulfanyl-2-(2-hydroxypropanoylamino)butanoic acid
CID 87754677
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
CID 124797786
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid
CID 176961749
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 122223473
2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]butanoic acid
CID 115731084
2-(2-aminopropanoylamino)-3-(ethyldisulfanyl)propanoic acid
CID 71317997
2-[1-(2-hydroxypropanoylamino)propylsulfanyl]acetic acid
CID 87961200
(2S)-2-acetamido-3-[(2S)-2-hydroxypropyl]sulfanylpropanoic acid
CID 40642510
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 88519448
2-amino-3-[[2-carboxy-2-(2,3-dihydroxypropanoylamino)ethyl]disulfanyl]propanoic acid
CID 23088926

Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The IUPAC name of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid (CID 164901844) is potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid.
What is the SMILES notation for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The canonical SMILES for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid is CC(O)C(=O)NC(CS[S-])C(=O)O.[K+].
What is the InChIKey of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The InChIKey is AVELXOBIJVHNMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of -3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid is sourced from PubChem (CID 164901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).