2-(aminomethylideneamino)acetic acid

C3H6N2O2 — CID 908

IUPAC2-(aminomethylideneamino)acetic acid
SMILESN/C=N/CC(=O)O
InChIInChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)
InChIKeyLLKCTZRWBHOKFF-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.94
Rot. Bonds2

About 2-(aminomethylideneamino)acetic acid

2-(aminomethylideneamino)acetic acid (PubChem CID 908) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-(aminomethylideneamino)acetic acid.

Molecular Properties

Compound Name2-(aminomethylideneamino)acetic acid
PubChem CID908
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name2-(aminomethylideneamino)acetic acid
SMILESN/C=N/CC(=O)O
InChIInChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)
InChIKeyLLKCTZRWBHOKFF-UHFFFAOYSA-N
XLogP-0.94
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(aminomethylideneamino)acetic acid?
The IUPAC name of 2-(aminomethylideneamino)acetic acid (CID 908) is 2-(aminomethylideneamino)acetic acid.
What is the SMILES notation for 2-(aminomethylideneamino)acetic acid?
The canonical SMILES for 2-(aminomethylideneamino)acetic acid is N/C=N/CC(=O)O.
What is the InChIKey of 2-(aminomethylideneamino)acetic acid?
The InChIKey is LLKCTZRWBHOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7).
What are the key properties of 2-(aminomethylideneamino)acetic acid?
2-(aminomethylideneamino)acetic acid has a molecular weight of 102.09 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylideneamino)acetic acid is sourced from PubChem (CID 908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).