disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate

C6H9NNa2O5 — CID 22151994

IUPACdisodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
SMILESCC(O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na/c1-4(8)7(2-5(9)10)3-6(11)12;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyGALFQPOIMRROOD-UHFFFAOYSA-L
MW221.12 g/mol
LogP-9.87
Rot. Bonds5

About disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate

disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate (PubChem CID 22151994) has the molecular formula C6H9NNa2O5 and a molecular weight of 221.12 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
PubChem CID22151994
Molecular FormulaC6H9NNa2O5
Molecular Weight221.12 g/mol
Exact Mass221.03
IUPAC Namedisodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
SMILESCC(O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H11NO5.2Na/c1-4(8)7(2-5(9)10)3-6(11)12;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyGALFQPOIMRROOD-UHFFFAOYSA-L
XLogP-9.87
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 5-9.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
CID 70699979
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate
CID 88633119
calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride
CID 173019440
sodium 2-(dimethylamino)acetate
CID 23695761
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate
CID 159253768
disodium bis(3-hydroxybutanoate)
CID 140970617
sodium;propane-1,2-diol;acetate
CID 88844727
disodium;(2S)-2-[bis(1-hydroxyethyl)amino]butanedioate
CID 87962220
sodium;acetic acid;propan-2-ol;acetate
CID 161389627

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate?
The IUPAC name of disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate (CID 22151994) is disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate.
What is the SMILES notation for disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate?
The canonical SMILES for disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate is CC(O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate?
The InChIKey is GALFQPOIMRROOD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11NO5.2Na/c1-4(8)7(2-5(9)10)3-6(11)12;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate?
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate has a molecular weight of 221.12 g/mol, XLogP of -9.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate is sourced from PubChem (CID 22151994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).