disodium;(2-aminoethylamino) acetate;hydride

C4H12N2Na2O2 — CID 173366093

IUPACdisodium;(2-aminoethylamino) acetate;hydride
SMILESCC(=O)ONCCN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H10N2O2.2Na.2H/c1-4(7)8-6-3-2-5;;;;/h6H,2-3,5H2,1H3;;;;/q;2*+1;2*-1
InChIKeyFJYCNXVCXSLIEX-UHFFFAOYSA-N
MW166.13 g/mol
LogP-6.75
Rot. Bonds3

About disodium;(2-aminoethylamino) acetate;hydride

disodium;(2-aminoethylamino) acetate;hydride (PubChem CID 173366093) has the molecular formula C4H12N2Na2O2 and a molecular weight of 166.13 g/mol. Its IUPAC name is disodium;(2-aminoethylamino) acetate;hydride.

Molecular Properties

Compound Namedisodium;(2-aminoethylamino) acetate;hydride
PubChem CID173366093
Molecular FormulaC4H12N2Na2O2
Molecular Weight166.13 g/mol
Exact Mass166.07
IUPAC Namedisodium;(2-aminoethylamino) acetate;hydride
SMILESCC(=O)ONCCN.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H10N2O2.2Na.2H/c1-4(7)8-6-3-2-5;;;;/h6H,2-3,5H2,1H3;;;;/q;2*+1;2*-1
InChIKeyFJYCNXVCXSLIEX-UHFFFAOYSA-N
XLogP-6.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-6.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-aminoethylamino) acetate;hydrochloride
CID 174583759
(2-aminoethylamino) acetate;chromium
CID 88783044
(2-aminoethylamino) acetate;cadmium;dihydrate
CID 174988758
(2-aminoethylamino) N-aminocarbamate
CID 174871175
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
4-O-(2-aminoethylamino) 1-O-methyl (E)-but-2-enedioate
CID 130312327
2-(2-aminoethylamino)oxy-2-oxoacetic acid;silver
CID 87556707
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
bis(2-aminoethylamino) nonanedioate
CID 88731142
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081

Frequently Asked Questions

What is the IUPAC name of disodium;(2-aminoethylamino) acetate;hydride?
The IUPAC name of disodium;(2-aminoethylamino) acetate;hydride (CID 173366093) is disodium;(2-aminoethylamino) acetate;hydride.
What is the SMILES notation for disodium;(2-aminoethylamino) acetate;hydride?
The canonical SMILES for disodium;(2-aminoethylamino) acetate;hydride is CC(=O)ONCCN.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;(2-aminoethylamino) acetate;hydride?
The InChIKey is FJYCNXVCXSLIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.2Na.2H/c1-4(7)8-6-3-2-5;;;;/h6H,2-3,5H2,1H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;(2-aminoethylamino) acetate;hydride?
disodium;(2-aminoethylamino) acetate;hydride has a molecular weight of 166.13 g/mol, XLogP of -6.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2-aminoethylamino) acetate;hydride is sourced from PubChem (CID 173366093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).