2-(oxaldehydoylamino)acetic acid

C4H5NO4 — CID 18960539

IUPAC2-(oxaldehydoylamino)acetic acid
SMILESO=CC(=O)NCC(=O)O
InChIInChI=1S/C4H5NO4/c6-2-3(7)5-1-4(8)9/h2H,1H2,(H,5,7)(H,8,9)
InChIKeyGDEHUOFMMKBDBF-UHFFFAOYSA-N
MW131.09 g/mol
LogP-1.61
Rot. Bonds3

About 2-(oxaldehydoylamino)acetic acid

2-(oxaldehydoylamino)acetic acid (PubChem CID 18960539) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 2-(oxaldehydoylamino)acetic acid.

Molecular Properties

Compound Name2-(oxaldehydoylamino)acetic acid
PubChem CID18960539
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name2-(oxaldehydoylamino)acetic acid
SMILESO=CC(=O)NCC(=O)O
InChIInChI=1S/C4H5NO4/c6-2-3(7)5-1-4(8)9/h2H,1H2,(H,5,7)(H,8,9)
InChIKeyGDEHUOFMMKBDBF-UHFFFAOYSA-N
XLogP-1.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(oxaldehydoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxaldehydoylamino)propanoic acid
CID 129042205
2-[[(Z)-3-formamidoprop-2-enoyl]amino]acetic acid
CID 155736518
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
2-(carboxymethylamino)acetic acid
CID 8897
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
2-(carbamoylamino)acetic acid
CID 87288569
2-formamidoacetic acid
CID 170552381
2-[[(E)-4-(2-methoxyethylamino)-4-oxobut-2-enoyl]amino]acetic acid
CID 100926423
methoxyethane;N-(2-methylprop-2-enyl)-2-oxoacetamide
CID 166103220
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718

Frequently Asked Questions

What is the IUPAC name of 2-(oxaldehydoylamino)acetic acid?
The IUPAC name of 2-(oxaldehydoylamino)acetic acid (CID 18960539) is 2-(oxaldehydoylamino)acetic acid.
What is the SMILES notation for 2-(oxaldehydoylamino)acetic acid?
The canonical SMILES for 2-(oxaldehydoylamino)acetic acid is O=CC(=O)NCC(=O)O.
What is the InChIKey of 2-(oxaldehydoylamino)acetic acid?
The InChIKey is GDEHUOFMMKBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-2-3(7)5-1-4(8)9/h2H,1H2,(H,5,7)(H,8,9).
What are the key properties of 2-(oxaldehydoylamino)acetic acid?
2-(oxaldehydoylamino)acetic acid has a molecular weight of 131.09 g/mol, XLogP of -1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxaldehydoylamino)acetic acid is sourced from PubChem (CID 18960539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).