disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate

C5H7NNa2O5 — CID 15217912

IUPACdisodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
SMILESO=C([O-])CN(CO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO5.2Na/c7-3-6(1-4(8)9)2-5(10)11;;/h7H,1-3H2,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeySMDXBNCTIGEQFT-UHFFFAOYSA-L
MW207.09 g/mol
LogP-10.25
Rot. Bonds5

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

disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate (PubChem CID 15217912) has the molecular formula C5H7NNa2O5 and a molecular weight of 207.09 g/mol. Its IUPAC name is disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
PubChem CID15217912
Molecular FormulaC5H7NNa2O5
Molecular Weight207.09 g/mol
Exact Mass207.01
IUPAC Namedisodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
SMILESO=C([O-])CN(CO)CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO5.2Na/c7-3-6(1-4(8)9)2-5(10)11;;/h7H,1-3H2,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeySMDXBNCTIGEQFT-UHFFFAOYSA-L
XLogP-10.25
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 5-10.25
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

trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 155804082
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
trisodium;2-[bis(carboxylatomethyl)amino]acetate;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 175837109

Frequently Asked Questions

What is the IUPAC name of disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate?
The IUPAC name of disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate (CID 15217912) is disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate.
What is the SMILES notation for disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate?
The canonical SMILES for disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate is O=C([O-])CN(CO)CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate?
The InChIKey is SMDXBNCTIGEQFT-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9NO5.2Na/c7-3-6(1-4(8)9)2-5(10)11;;/h7H,1-3H2,(H,8,9)(H,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate?
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate has a molecular weight of 207.09 g/mol, XLogP of -10.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate is sourced from PubChem (CID 15217912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).