disodium;2-(carboxylatomethylamino)acetate;hydrate

C4H7NNa2O5 — CID 12520792

IUPACdisodium;2-(carboxylatomethylamino)acetate;hydrate
SMILESO.O=C([O-])CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2
InChIKeyYSBGCHXLMBAKPV-UHFFFAOYSA-L
MW195.08 g/mol
LogP-10.74
Rot. Bonds4

About disodium;2-(carboxylatomethylamino)acetate;hydrate

disodium;2-(carboxylatomethylamino)acetate;hydrate (PubChem CID 12520792) has the molecular formula C4H7NNa2O5 and a molecular weight of 195.08 g/mol. Its IUPAC name is disodium;2-(carboxylatomethylamino)acetate;hydrate.

Molecular Properties

Compound Namedisodium;2-(carboxylatomethylamino)acetate;hydrate
PubChem CID12520792
Molecular FormulaC4H7NNa2O5
Molecular Weight195.08 g/mol
Exact Mass195.01
IUPAC Namedisodium;2-(carboxylatomethylamino)acetate;hydrate
SMILESO.O=C([O-])CNCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2
InChIKeyYSBGCHXLMBAKPV-UHFFFAOYSA-L
XLogP-10.74
TPSA123.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.08
LogP ≤ 5-10.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of disodium;2-(carboxylatomethylamino)acetate;hydrate?
The IUPAC name of disodium;2-(carboxylatomethylamino)acetate;hydrate (CID 12520792) is disodium;2-(carboxylatomethylamino)acetate;hydrate.
What is the SMILES notation for disodium;2-(carboxylatomethylamino)acetate;hydrate?
The canonical SMILES for disodium;2-(carboxylatomethylamino)acetate;hydrate is O.O=C([O-])CNCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(carboxylatomethylamino)acetate;hydrate?
The InChIKey is YSBGCHXLMBAKPV-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;2-(carboxylatomethylamino)acetate;hydrate?
disodium;2-(carboxylatomethylamino)acetate;hydrate has a molecular weight of 195.08 g/mol, XLogP of -10.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(carboxylatomethylamino)acetate;hydrate is sourced from PubChem (CID 12520792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).