2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid

C6H8N2O6 — CID 57123691

IUPAC2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid
SMILESO=CC(=O)NN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H8N2O6/c9-3-4(10)7-8(1-5(11)12)2-6(13)14/h3H,1-2H2,(H,7,10)(H,11,12)(H,13,14)
InChIKeyGVDUDHDOWYAQRB-UHFFFAOYSA-N
MW204.14 g/mol
LogP-2.31
Rot. Bonds6

About 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid

2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid (PubChem CID 57123691) has the molecular formula C6H8N2O6 and a molecular weight of 204.14 g/mol. Its IUPAC name is 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid
PubChem CID57123691
Molecular FormulaC6H8N2O6
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Name2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid
SMILESO=CC(=O)NN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H8N2O6/c9-3-4(10)7-8(1-5(11)12)2-6(13)14/h3H,1-2H2,(H,7,10)(H,11,12)(H,13,14)
InChIKeyGVDUDHDOWYAQRB-UHFFFAOYSA-N
XLogP-2.31
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid (CID 57123691) is 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid is O=CC(=O)NN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid?
The InChIKey is GVDUDHDOWYAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6/c9-3-4(10)7-8(1-5(11)12)2-6(13)14/h3H,1-2H2,(H,7,10)(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid?
2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid has a molecular weight of 204.14 g/mol, XLogP of -2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(oxaldehydoylamino)amino]acetic acid is sourced from PubChem (CID 57123691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).