2-(carboxymethylamino)-2-oxoacetic acid

C4H5NO5 — CID 3080614

IUPAC2-(carboxymethylamino)-2-oxoacetic acid
SMILESO=C(O)CNC(=O)C(=O)O
InChIInChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChIKeyBIMZLRFONYSTPT-UHFFFAOYSA-N
MW147.09 g/mol
LogP-1.73
Rot. Bonds2

About 2-(carboxymethylamino)-2-oxoacetic acid

2-(carboxymethylamino)-2-oxoacetic acid (PubChem CID 3080614) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-oxoacetic acid
PubChem CID3080614
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Name2-(carboxymethylamino)-2-oxoacetic acid
SMILESO=C(O)CNC(=O)C(=O)O
InChIInChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChIKeyBIMZLRFONYSTPT-UHFFFAOYSA-N
XLogP-1.73
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(carboxymethylamino)-2-oxoacetic acid (CID 3080614) is 2-(carboxymethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(carboxymethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(carboxymethylamino)-2-oxoacetic acid is O=C(O)CNC(=O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)-2-oxoacetic acid?
The InChIKey is BIMZLRFONYSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10).
What are the key properties of 2-(carboxymethylamino)-2-oxoacetic acid?
2-(carboxymethylamino)-2-oxoacetic acid has a molecular weight of 147.09 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-oxoacetic acid is sourced from PubChem (CID 3080614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).