trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate

C7H10NNa3O7 — CID 70699979

IUPACtrisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
SMILESCC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na.H2O/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;;1H2/q;3*+1;/p-3
InChIKeyJUWMOOKPNWGETN-UHFFFAOYSA-K
MW289.13 g/mol
LogP-14.89
Rot. Bonds6

About trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate

trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate (PubChem CID 70699979) has the molecular formula C7H10NNa3O7 and a molecular weight of 289.13 g/mol. Its IUPAC name is trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate.

Molecular Properties

Compound Nametrisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
PubChem CID70699979
Molecular FormulaC7H10NNa3O7
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Nametrisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
SMILESCC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na.H2O/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;;1H2/q;3*+1;/p-3
InChIKeyJUWMOOKPNWGETN-UHFFFAOYSA-K
XLogP-14.89
TPSA155.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 5-14.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
2-[2-[2-[1-carboxylatoethyl(carboxylatomethyl)amino]ethyl-(1-phosphonatoethyl)amino]ethyl-(carboxylatomethyl)amino]propanoate
CID 59005244
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
sodium 2-(dioctadecylamino)propanoate
CID 101313754
sodium 2-(didecylamino)propanoate
CID 101313681
sodium 2-[di(icosyl)amino]propanoate
CID 101313774
sodium 2-[di(undecyl)amino]propanoate
CID 101313689
zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate
CID 88633119
sodium 2-(dimethylamino)acetate
CID 23695761
2-[bis(carboxylatomethyl)amino]-4,4-dimethylpentanoate
CID 176841247
calcium;disodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate
CID 139816713
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241

Frequently Asked Questions

What is the IUPAC name of trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate?
The IUPAC name of trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate (CID 70699979) is trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate.
What is the SMILES notation for trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate?
The canonical SMILES for trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate is CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate?
The InChIKey is JUWMOOKPNWGETN-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H11NO6.3Na.H2O/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;;1H2/q;3*+1;/p-3.
What are the key properties of trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate?
trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate has a molecular weight of 289.13 g/mol, XLogP of -14.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate is sourced from PubChem (CID 70699979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).