2-[2-(carboxymethylimino)ethylideneamino]acetic acid

C6H8N2O4 — CID 87644006

IUPAC2-[2-(carboxymethylimino)ethylideneamino]acetic acid
SMILESO=C(O)C/N=C/C=N/CC(=O)O
InChIInChI=1S/C6H8N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/b7-1+,8-2+
InChIKeyIHPITKNODLQJNG-FACPPWRESA-N
MW172.14 g/mol
LogP-0.70
Rot. Bonds5

About 2-[2-(carboxymethylimino)ethylideneamino]acetic acid

2-[2-(carboxymethylimino)ethylideneamino]acetic acid (PubChem CID 87644006) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-[2-(carboxymethylimino)ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethylimino)ethylideneamino]acetic acid
PubChem CID87644006
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-[2-(carboxymethylimino)ethylideneamino]acetic acid
SMILESO=C(O)C/N=C/C=N/CC(=O)O
InChIInChI=1S/C6H8N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/b7-1+,8-2+
InChIKeyIHPITKNODLQJNG-FACPPWRESA-N
XLogP-0.70
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethylimino)ethylideneamino]acetic acid?
The IUPAC name of 2-[2-(carboxymethylimino)ethylideneamino]acetic acid (CID 87644006) is 2-[2-(carboxymethylimino)ethylideneamino]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethylimino)ethylideneamino]acetic acid?
The canonical SMILES for 2-[2-(carboxymethylimino)ethylideneamino]acetic acid is O=C(O)C/N=C/C=N/CC(=O)O.
What is the InChIKey of 2-[2-(carboxymethylimino)ethylideneamino]acetic acid?
The InChIKey is IHPITKNODLQJNG-FACPPWRESA-N. The full InChI is InChI=1S/C6H8N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/b7-1+,8-2+.
What are the key properties of 2-[2-(carboxymethylimino)ethylideneamino]acetic acid?
2-[2-(carboxymethylimino)ethylideneamino]acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethylimino)ethylideneamino]acetic acid is sourced from PubChem (CID 87644006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).