2-(carboxylatomethylamino)acetate

C4H5NO4-2 — CID 3344189

IUPAC2-(carboxylatomethylamino)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-2
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-L
MW131.09 g/mol
LogP-3.92
Rot. Bonds4

About 2-(carboxylatomethylamino)acetate

2-(carboxylatomethylamino)acetate (PubChem CID 3344189) has the molecular formula C4H5NO4-2 and a molecular weight of 131.09 g/mol. Its IUPAC name is 2-(carboxylatomethylamino)acetate.

Molecular Properties

Compound Name2-(carboxylatomethylamino)acetate
PubChem CID3344189
Molecular FormulaC4H5NO4-2
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name2-(carboxylatomethylamino)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-2
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-L
XLogP-3.92
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-3.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxylatomethylamino)acetate?
The IUPAC name of 2-(carboxylatomethylamino)acetate (CID 3344189) is 2-(carboxylatomethylamino)acetate.
What is the SMILES notation for 2-(carboxylatomethylamino)acetate?
The canonical SMILES for 2-(carboxylatomethylamino)acetate is O=C([O-])CNCC(=O)[O-].
What is the InChIKey of 2-(carboxylatomethylamino)acetate?
The InChIKey is NBZBKCUXIYYUSX-UHFFFAOYSA-L. 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-2.
What are the key properties of 2-(carboxylatomethylamino)acetate?
2-(carboxylatomethylamino)acetate has a molecular weight of 131.09 g/mol, XLogP of -3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxylatomethylamino)acetate is sourced from PubChem (CID 3344189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).