dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride

C6H13K2NO4S — CID 173272303

IUPACdipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride
SMILESO=C(O)CNCCSCC(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H11NO4S.2K.2H/c8-5(9)3-7-1-2-12-4-6(10)11;;;;/h7H,1-4H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1
InChIKeyTWUDHGDWXAOLHF-UHFFFAOYSA-N
MW273.44 g/mol
LogP-6.29
Rot. Bonds7

About dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride

dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride (PubChem CID 173272303) has the molecular formula C6H13K2NO4S and a molecular weight of 273.44 g/mol. Its IUPAC name is dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride.

Molecular Properties

Compound Namedipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride
PubChem CID173272303
Molecular FormulaC6H13K2NO4S
Molecular Weight273.44 g/mol
Exact Mass272.98
IUPAC Namedipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride
SMILESO=C(O)CNCCSCC(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H11NO4S.2K.2H/c8-5(9)3-7-1-2-12-4-6(10)11;;;;/h7H,1-4H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1
InChIKeyTWUDHGDWXAOLHF-UHFFFAOYSA-N
XLogP-6.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 5-6.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride?
The IUPAC name of dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride (CID 173272303) is dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride.
What is the SMILES notation for dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride?
The canonical SMILES for dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride is O=C(O)CNCCSCC(=O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride?
The InChIKey is TWUDHGDWXAOLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S.2K.2H/c8-5(9)3-7-1-2-12-4-6(10)11;;;;/h7H,1-4H2,(H,8,9)(H,10,11);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride?
dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride has a molecular weight of 273.44 g/mol, XLogP of -6.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride is sourced from PubChem (CID 173272303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).