sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)

C10H33N8NaO2 — CID 23701740

IUPACsodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.NCCNCC(=O)[O-].[Na+]
InChIInChI=1S/C4H10N2O2.3C2H8N2.Na/c5-1-2-6-3-4(7)8;3*3-1-2-4;/h6H,1-3,5H2,(H,7,8);3*1-4H2;/q;;;;+1/p-1
InChIKeyJEOUGKXYMWFKNS-UHFFFAOYSA-M
MW320.42 g/mol
LogP-9.00
Rot. Bonds7

About sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)

sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine) (PubChem CID 23701740) has the molecular formula C10H33N8NaO2 and a molecular weight of 320.42 g/mol. Its IUPAC name is sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine).

Molecular Properties

Compound Namesodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
PubChem CID23701740
Molecular FormulaC10H33N8NaO2
Molecular Weight320.42 g/mol
Exact Mass320.26
IUPAC Namesodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
SMILESNCCN.NCCN.NCCN.NCCNCC(=O)[O-].[Na+]
InChIInChI=1S/C4H10N2O2.3C2H8N2.Na/c5-1-2-6-3-4(7)8;3*3-1-2-4;/h6H,1-3,5H2,(H,7,8);3*1-4H2;/q;;;;+1/p-1
InChIKeyJEOUGKXYMWFKNS-UHFFFAOYSA-M
XLogP-9.00
TPSA234.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 5-9.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
CID 157360906
1-(2-aminoethylamino)butane-2,3-dione
CID 57071284
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)?
The IUPAC name of sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine) (CID 23701740) is sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine).
What is the SMILES notation for sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)?
The canonical SMILES for sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine) is NCCN.NCCN.NCCN.NCCNCC(=O)[O-].[Na+].
What is the InChIKey of sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)?
The InChIKey is JEOUGKXYMWFKNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O2.3C2H8N2.Na/c5-1-2-6-3-4(7)8;3*3-1-2-4;/h6H,1-3,5H2,(H,7,8);3*1-4H2;/q;;;;+1/p-1.
What are the key properties of sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)?
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine) has a molecular weight of 320.42 g/mol, XLogP of -9.00, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine) is sourced from PubChem (CID 23701740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).