trisodium;3-[bis(carboxylatomethyl)amino]propanoate

C7H8NNa3O6 — CID 14597623

IUPACtrisodium;3-[bis(carboxylatomethyl)amino]propanoate
SMILESO=C([O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na/c9-5(10)1-2-8(3-6(11)12)4-7(13)14;;;/h1-4H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKeyIVZOJBMAVRDAOD-UHFFFAOYSA-K
MW271.11 g/mol
LogP-14.06
Rot. Bonds7

About trisodium;3-[bis(carboxylatomethyl)amino]propanoate

trisodium;3-[bis(carboxylatomethyl)amino]propanoate (PubChem CID 14597623) has the molecular formula C7H8NNa3O6 and a molecular weight of 271.11 g/mol. Its IUPAC name is trisodium;3-[bis(carboxylatomethyl)amino]propanoate.

Molecular Properties

Compound Nametrisodium;3-[bis(carboxylatomethyl)amino]propanoate
PubChem CID14597623
Molecular FormulaC7H8NNa3O6
Molecular Weight271.11 g/mol
Exact Mass271.00
IUPAC Nametrisodium;3-[bis(carboxylatomethyl)amino]propanoate
SMILESO=C([O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H11NO6.3Na/c9-5(10)1-2-8(3-6(11)12)4-7(13)14;;;/h1-4H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKeyIVZOJBMAVRDAOD-UHFFFAOYSA-K
XLogP-14.06
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 5-14.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trisodium;3-[bis(carboxylatomethyl)amino]propanoate?
The IUPAC name of trisodium;3-[bis(carboxylatomethyl)amino]propanoate (CID 14597623) is trisodium;3-[bis(carboxylatomethyl)amino]propanoate.
What is the SMILES notation for trisodium;3-[bis(carboxylatomethyl)amino]propanoate?
The canonical SMILES for trisodium;3-[bis(carboxylatomethyl)amino]propanoate is O=C([O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;3-[bis(carboxylatomethyl)amino]propanoate?
The InChIKey is IVZOJBMAVRDAOD-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H11NO6.3Na/c9-5(10)1-2-8(3-6(11)12)4-7(13)14;;;/h1-4H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3.
What are the key properties of trisodium;3-[bis(carboxylatomethyl)amino]propanoate?
trisodium;3-[bis(carboxylatomethyl)amino]propanoate has a molecular weight of 271.11 g/mol, XLogP of -14.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;3-[bis(carboxylatomethyl)amino]propanoate is sourced from PubChem (CID 14597623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).