disodium;acetic acid;2-(methylamino)acetate;acetate

C7H13NNa2O6 — CID 173189557

IUPACdisodium;acetic acid;2-(methylamino)acetate;acetate
SMILESCC(=O)O.CC(=O)[O-].CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H7NO2.2C2H4O2.2Na/c1-4-2-3(5)6;2*1-2(3)4;;/h4H,2H2,1H3,(H,5,6);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyAVSIKTKNSBXVBS-UHFFFAOYSA-L
MW253.16 g/mol
LogP-9.19
Rot. Bonds2

About disodium;acetic acid;2-(methylamino)acetate;acetate

disodium;acetic acid;2-(methylamino)acetate;acetate (PubChem CID 173189557) has the molecular formula C7H13NNa2O6 and a molecular weight of 253.16 g/mol. Its IUPAC name is disodium;acetic acid;2-(methylamino)acetate;acetate.

Molecular Properties

Compound Namedisodium;acetic acid;2-(methylamino)acetate;acetate
PubChem CID173189557
Molecular FormulaC7H13NNa2O6
Molecular Weight253.16 g/mol
Exact Mass253.05
IUPAC Namedisodium;acetic acid;2-(methylamino)acetate;acetate
SMILESCC(=O)O.CC(=O)[O-].CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H7NO2.2C2H4O2.2Na/c1-4-2-3(5)6;2*1-2(3)4;;/h4H,2H2,1H3,(H,5,6);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyAVSIKTKNSBXVBS-UHFFFAOYSA-L
XLogP-9.19
TPSA129.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 5-9.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dipotassium bis(2-(methylamino)acetate)
CID 139682425
disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
disodium;acetic acid;diacetate;dihydrate
CID 157440241
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
disodium;acetic acid;butanedioate
CID 173373024
sodium;acetic acid;propan-2-ol;acetate
CID 161389627
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
dipotassium;acetic acid;diacetate
CID 158588749
cesium;acetic acid;acetate
CID 175712747

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;2-(methylamino)acetate;acetate?
The IUPAC name of disodium;acetic acid;2-(methylamino)acetate;acetate (CID 173189557) is disodium;acetic acid;2-(methylamino)acetate;acetate.
What is the SMILES notation for disodium;acetic acid;2-(methylamino)acetate;acetate?
The canonical SMILES for disodium;acetic acid;2-(methylamino)acetate;acetate is CC(=O)O.CC(=O)[O-].CNCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;acetic acid;2-(methylamino)acetate;acetate?
The InChIKey is AVSIKTKNSBXVBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7NO2.2C2H4O2.2Na/c1-4-2-3(5)6;2*1-2(3)4;;/h4H,2H2,1H3,(H,5,6);2*1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of disodium;acetic acid;2-(methylamino)acetate;acetate?
disodium;acetic acid;2-(methylamino)acetate;acetate has a molecular weight of 253.16 g/mol, XLogP of -9.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;2-(methylamino)acetate;acetate is sourced from PubChem (CID 173189557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).