sodium 2-(carboxymethylamino)acetate

C4H6NNaO4 — CID 23681167

IUPACsodium 2-(carboxymethylamino)acetate
SMILESO=C([O-])CNCC(=O)O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyYMUIJWOIZMVBQZ-UHFFFAOYSA-M
MW155.08 g/mol
LogP-5.59
Rot. Bonds4

About sodium 2-(carboxymethylamino)acetate

sodium 2-(carboxymethylamino)acetate (PubChem CID 23681167) has the molecular formula C4H6NNaO4 and a molecular weight of 155.08 g/mol. Its IUPAC name is sodium 2-(carboxymethylamino)acetate.

Molecular Properties

Compound Namesodium 2-(carboxymethylamino)acetate
PubChem CID23681167
Molecular FormulaC4H6NNaO4
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Namesodium 2-(carboxymethylamino)acetate
SMILESO=C([O-])CNCC(=O)O.[Na+]
InChIInChI=1S/C4H7NO4.Na/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyYMUIJWOIZMVBQZ-UHFFFAOYSA-M
XLogP-5.59
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-5.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(carboxymethylamino)acetate?
The IUPAC name of sodium 2-(carboxymethylamino)acetate (CID 23681167) is sodium 2-(carboxymethylamino)acetate.
What is the SMILES notation for sodium 2-(carboxymethylamino)acetate?
The canonical SMILES for sodium 2-(carboxymethylamino)acetate is O=C([O-])CNCC(=O)O.[Na+].
What is the InChIKey of sodium 2-(carboxymethylamino)acetate?
The InChIKey is YMUIJWOIZMVBQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4.Na/c6-3(7)1-5-2-4(8)9;/h5H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(carboxymethylamino)acetate?
sodium 2-(carboxymethylamino)acetate has a molecular weight of 155.08 g/mol, XLogP of -5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(carboxymethylamino)acetate is sourced from PubChem (CID 23681167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).