disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate

C8H13NNa2O6 — CID 90478242

IUPACdisodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate
SMILESCCN(CC(=O)[O-])[C@@H](OCCO)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H15NO6.2Na/c1-2-9(5-6(11)12)7(8(13)14)15-4-3-10;;/h7,10H,2-5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2/t7-;;/m0../s1
InChIKeyGMVIIFBLHMULRI-KLXURFKVSA-L
MW265.17 g/mol
LogP-9.85
Rot. Bonds8

About disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate

disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate (PubChem CID 90478242) has the molecular formula C8H13NNa2O6 and a molecular weight of 265.17 g/mol. Its IUPAC name is disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate.

Molecular Properties

Compound Namedisodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate
PubChem CID90478242
Molecular FormulaC8H13NNa2O6
Molecular Weight265.17 g/mol
Exact Mass265.05
IUPAC Namedisodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate
SMILESCCN(CC(=O)[O-])[C@@H](OCCO)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H15NO6.2Na/c1-2-9(5-6(11)12)7(8(13)14)15-4-3-10;;/h7,10H,2-5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2/t7-;;/m0../s1
InChIKeyGMVIIFBLHMULRI-KLXURFKVSA-L
XLogP-9.85
TPSA112.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 5-9.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate?
The IUPAC name of disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate (CID 90478242) is disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate.
What is the SMILES notation for disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate?
The canonical SMILES for disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate is CCN(CC(=O)[O-])[C@@H](OCCO)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate?
The InChIKey is GMVIIFBLHMULRI-KLXURFKVSA-L. The full InChI is InChI=1S/C8H15NO6.2Na/c1-2-9(5-6(11)12)7(8(13)14)15-4-3-10;;/h7,10H,2-5H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2/t7-;;/m0../s1.
What are the key properties of disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate?
disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate has a molecular weight of 265.17 g/mol, XLogP of -9.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-[carboxylatomethyl(ethyl)amino]-2-(2-hydroxyethoxy)acetate is sourced from PubChem (CID 90478242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).