2-imino-2-(methyliminomethylamino)acetic acid

C4H7N3O2 — CID 176535373

IUPAC2-imino-2-(methyliminomethylamino)acetic acid
SMILES[H]/N=C(/N/C=N/C)C(=O)O
InChIInChI=1S/C4H7N3O2/c1-6-2-7-3(5)4(8)9/h2H,1H3,(H,8,9)(H2,5,6,7)
InChIKeyNAOWWMSIRJPXAN-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.70
Rot. Bonds1

About 2-imino-2-(methyliminomethylamino)acetic acid

2-imino-2-(methyliminomethylamino)acetic acid (PubChem CID 176535373) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-imino-2-(methyliminomethylamino)acetic acid.

Molecular Properties

Compound Name2-imino-2-(methyliminomethylamino)acetic acid
PubChem CID176535373
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-imino-2-(methyliminomethylamino)acetic acid
SMILES[H]/N=C(/N/C=N/C)C(=O)O
InChIInChI=1S/C4H7N3O2/c1-6-2-7-3(5)4(8)9/h2H,1H3,(H,8,9)(H2,5,6,7)
InChIKeyNAOWWMSIRJPXAN-UHFFFAOYSA-N
XLogP-0.70
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(methyliminomethylamino)acetic acid?
The IUPAC name of 2-imino-2-(methyliminomethylamino)acetic acid (CID 176535373) is 2-imino-2-(methyliminomethylamino)acetic acid.
What is the SMILES notation for 2-imino-2-(methyliminomethylamino)acetic acid?
The canonical SMILES for 2-imino-2-(methyliminomethylamino)acetic acid is [H]/N=C(/N/C=N/C)C(=O)O.
What is the InChIKey of 2-imino-2-(methyliminomethylamino)acetic acid?
The InChIKey is NAOWWMSIRJPXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-6-2-7-3(5)4(8)9/h2H,1H3,(H,8,9)(H2,5,6,7).
What are the key properties of 2-imino-2-(methyliminomethylamino)acetic acid?
2-imino-2-(methyliminomethylamino)acetic acid has a molecular weight of 129.12 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(methyliminomethylamino)acetic acid is sourced from PubChem (CID 176535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).