(2E)-2-cyclopropyl-2-methoxyiminoacetic acid

C6H9NO3 — CID 174045839

IUPAC(2E)-2-cyclopropyl-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)C1CC1
InChIInChI=1S/C6H9NO3/c1-10-7-5(6(8)9)4-2-3-4/h4H,2-3H2,1H3,(H,8,9)/b7-5+
InChIKeyIXXZZZJTKYRNDX-FNORWQNLSA-N
MW143.14 g/mol
LogP0.48
Rot. Bonds3

About (2E)-2-cyclopropyl-2-methoxyiminoacetic acid

(2E)-2-cyclopropyl-2-methoxyiminoacetic acid (PubChem CID 174045839) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2E)-2-cyclopropyl-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-cyclopropyl-2-methoxyiminoacetic acid
PubChem CID174045839
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2E)-2-cyclopropyl-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)C1CC1
InChIInChI=1S/C6H9NO3/c1-10-7-5(6(8)9)4-2-3-4/h4H,2-3H2,1H3,(H,8,9)/b7-5+
InChIKeyIXXZZZJTKYRNDX-FNORWQNLSA-N
XLogP0.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyclopropyl-2-methoxyiminoacetic acid?
The IUPAC name of (2E)-2-cyclopropyl-2-methoxyiminoacetic acid (CID 174045839) is (2E)-2-cyclopropyl-2-methoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-cyclopropyl-2-methoxyiminoacetic acid?
The canonical SMILES for (2E)-2-cyclopropyl-2-methoxyiminoacetic acid is CO/N=C(/C(=O)O)C1CC1.
What is the InChIKey of (2E)-2-cyclopropyl-2-methoxyiminoacetic acid?
The InChIKey is IXXZZZJTKYRNDX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-7-5(6(8)9)4-2-3-4/h4H,2-3H2,1H3,(H,8,9)/b7-5+.
What are the key properties of (2E)-2-cyclopropyl-2-methoxyiminoacetic acid?
(2E)-2-cyclopropyl-2-methoxyiminoacetic acid has a molecular weight of 143.14 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyclopropyl-2-methoxyiminoacetic acid is sourced from PubChem (CID 174045839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).