disodium bis(2-(2-aminoethylamino)acetate)

C8H18N4Na2O4 — CID 173036397

IUPACdisodium bis(2-(2-aminoethylamino)acetate)
SMILESNCCNCC(=O)[O-].NCCNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C4H10N2O2.2Na/c2*5-1-2-6-3-4(7)8;;/h2*6H,1-3,5H2,(H,7,8);;/q;;2*+1/p-2
InChIKeyIJVVQTVJUJFOSJ-UHFFFAOYSA-L
MW280.24 g/mol
LogP-11.42
Rot. Bonds8

About disodium bis(2-(2-aminoethylamino)acetate)

disodium bis(2-(2-aminoethylamino)acetate) (PubChem CID 173036397) has the molecular formula C8H18N4Na2O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is disodium bis(2-(2-aminoethylamino)acetate).

Molecular Properties

Compound Namedisodium bis(2-(2-aminoethylamino)acetate)
PubChem CID173036397
Molecular FormulaC8H18N4Na2O4
Molecular Weight280.24 g/mol
Exact Mass280.11
IUPAC Namedisodium bis(2-(2-aminoethylamino)acetate)
SMILESNCCNCC(=O)[O-].NCCNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C4H10N2O2.2Na/c2*5-1-2-6-3-4(7)8;;/h2*6H,1-3,5H2,(H,7,8);;/q;;2*+1/p-2
InChIKeyIJVVQTVJUJFOSJ-UHFFFAOYSA-L
XLogP-11.42
TPSA156.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-11.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
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 disodium bis(2-(2-aminoethylamino)acetate)?
The IUPAC name of disodium bis(2-(2-aminoethylamino)acetate) (CID 173036397) is disodium bis(2-(2-aminoethylamino)acetate).
What is the SMILES notation for disodium bis(2-(2-aminoethylamino)acetate)?
The canonical SMILES for disodium bis(2-(2-aminoethylamino)acetate) is NCCNCC(=O)[O-].NCCNCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium bis(2-(2-aminoethylamino)acetate)?
The InChIKey is IJVVQTVJUJFOSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10N2O2.2Na/c2*5-1-2-6-3-4(7)8;;/h2*6H,1-3,5H2,(H,7,8);;/q;;2*+1/p-2.
What are the key properties of disodium bis(2-(2-aminoethylamino)acetate)?
disodium bis(2-(2-aminoethylamino)acetate) has a molecular weight of 280.24 g/mol, XLogP of -11.42, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(2-(2-aminoethylamino)acetate) is sourced from PubChem (CID 173036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).