2-(carboxymethylamino)acetate

C4H6NO4- — CID 3614581

IUPAC2-(carboxymethylamino)acetate
SMILESO=C([O-])CNCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-M
MW132.09 g/mol
LogP-2.59
Rot. Bonds4

About 2-(carboxymethylamino)acetate

2-(carboxymethylamino)acetate (PubChem CID 3614581) has the molecular formula C4H6NO4- and a molecular weight of 132.09 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetate.

Molecular Properties

Compound Name2-(carboxymethylamino)acetate
PubChem CID3614581
Molecular FormulaC4H6NO4-
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name2-(carboxymethylamino)acetate
SMILESO=C([O-])CNCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-M
XLogP-2.59
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetate?
The IUPAC name of 2-(carboxymethylamino)acetate (CID 3614581) is 2-(carboxymethylamino)acetate.
What is the SMILES notation for 2-(carboxymethylamino)acetate?
The canonical SMILES for 2-(carboxymethylamino)acetate is O=C([O-])CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetate?
The InChIKey is NBZBKCUXIYYUSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2-(carboxymethylamino)acetate?
2-(carboxymethylamino)acetate has a molecular weight of 132.09 g/mol, XLogP of -2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetate is sourced from PubChem (CID 3614581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).