2-cyano-2-(ethoxymethylideneamino)acetic acid

C6H8N2O3 — CID 91465309

IUPAC2-cyano-2-(ethoxymethylideneamino)acetic acid
SMILESCCO/C=N/C(C#N)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-2-11-4-8-5(3-7)6(9)10/h4-5H,2H2,1H3,(H,9,10)/b8-4+
InChIKeyFHDRORJXUYDQCV-XBXARRHUSA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds4

About 2-cyano-2-(ethoxymethylideneamino)acetic acid

2-cyano-2-(ethoxymethylideneamino)acetic acid (PubChem CID 91465309) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-cyano-2-(ethoxymethylideneamino)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(ethoxymethylideneamino)acetic acid
PubChem CID91465309
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-cyano-2-(ethoxymethylideneamino)acetic acid
SMILESCCO/C=N/C(C#N)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-2-11-4-8-5(3-7)6(9)10/h4-5H,2H2,1H3,(H,9,10)/b8-4+
InChIKeyFHDRORJXUYDQCV-XBXARRHUSA-N
XLogP0.03
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyano-2-(ethoxymethylideneamino)acetic acid?
The IUPAC name of 2-cyano-2-(ethoxymethylideneamino)acetic acid (CID 91465309) is 2-cyano-2-(ethoxymethylideneamino)acetic acid.
What is the SMILES notation for 2-cyano-2-(ethoxymethylideneamino)acetic acid?
The canonical SMILES for 2-cyano-2-(ethoxymethylideneamino)acetic acid is CCO/C=N/C(C#N)C(=O)O.
What is the InChIKey of 2-cyano-2-(ethoxymethylideneamino)acetic acid?
The InChIKey is FHDRORJXUYDQCV-XBXARRHUSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-11-4-8-5(3-7)6(9)10/h4-5H,2H2,1H3,(H,9,10)/b8-4+.
What are the key properties of 2-cyano-2-(ethoxymethylideneamino)acetic acid?
2-cyano-2-(ethoxymethylideneamino)acetic acid has a molecular weight of 156.14 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(ethoxymethylideneamino)acetic acid is sourced from PubChem (CID 91465309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).