2-amino-2-ethyliminoacetic acid

C4H8N2O2 — CID 12538241

IUPAC2-amino-2-ethyliminoacetic acid
SMILESCC/N=C(\N)C(=O)O
InChIInChI=1S/C4H8N2O2/c1-2-6-3(5)4(7)8/h2H2,1H3,(H2,5,6)(H,7,8)
InChIKeyKMWFECMUQONHQG-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.55
Rot. Bonds1

About 2-amino-2-ethyliminoacetic acid

2-amino-2-ethyliminoacetic acid (PubChem CID 12538241) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-amino-2-ethyliminoacetic acid.

Molecular Properties

Compound Name2-amino-2-ethyliminoacetic acid
PubChem CID12538241
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-amino-2-ethyliminoacetic acid
SMILESCC/N=C(\N)C(=O)O
InChIInChI=1S/C4H8N2O2/c1-2-6-3(5)4(7)8/h2H2,1H3,(H2,5,6)(H,7,8)
InChIKeyKMWFECMUQONHQG-UHFFFAOYSA-N
XLogP-0.55
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.55
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-amino-2-ethyliminoacetic acid?
The IUPAC name of 2-amino-2-ethyliminoacetic acid (CID 12538241) is 2-amino-2-ethyliminoacetic acid.
What is the SMILES notation for 2-amino-2-ethyliminoacetic acid?
The canonical SMILES for 2-amino-2-ethyliminoacetic acid is CC/N=C(\N)C(=O)O.
What is the InChIKey of 2-amino-2-ethyliminoacetic acid?
The InChIKey is KMWFECMUQONHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-6-3(5)4(7)8/h2H2,1H3,(H2,5,6)(H,7,8).
What are the key properties of 2-amino-2-ethyliminoacetic acid?
2-amino-2-ethyliminoacetic acid has a molecular weight of 116.12 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyliminoacetic acid is sourced from PubChem (CID 12538241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).