(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid

C6H9NO3 — CID 6091857

IUPAC(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid
SMILESO=C(O)C1CC/C(=N\O)C1
InChIInChI=1S/C6H9NO3/c8-6(9)4-1-2-5(3-4)7-10/h4,10H,1-3H2,(H,8,9)/b7-5+
InChIKeyAMAYWRJNZWREGD-FNORWQNLSA-N
MW143.14 g/mol
LogP0.70
Rot. Bonds1

About (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid

(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid (PubChem CID 6091857) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid
PubChem CID6091857
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid
SMILESO=C(O)C1CC/C(=N\O)C1
InChIInChI=1S/C6H9NO3/c8-6(9)4-1-2-5(3-4)7-10/h4,10H,1-3H2,(H,8,9)/b7-5+
InChIKeyAMAYWRJNZWREGD-FNORWQNLSA-N
XLogP0.70
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid?
The IUPAC name of (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid (CID 6091857) is (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid.
What is the SMILES notation for (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid?
The canonical SMILES for (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid is O=C(O)C1CC/C(=N\O)C1.
What is the InChIKey of (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid?
The InChIKey is AMAYWRJNZWREGD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO3/c8-6(9)4-1-2-5(3-4)7-10/h4,10H,1-3H2,(H,8,9)/b7-5+.
What are the key properties of (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid?
(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydroxyiminocyclopentane-1-carboxylic acid is sourced from PubChem (CID 6091857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).