2-cyclopentyloxyiminoacetic acid

C7H11NO3 — CID 88615205

IUPAC2-cyclopentyloxyiminoacetic acid
SMILESO=C(O)C=NOC1CCCC1
InChIInChI=1S/C7H11NO3/c9-7(10)5-8-11-6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyDJEGUBCHWDUDKB-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.02
Rot. Bonds3

About 2-cyclopentyloxyiminoacetic acid

2-cyclopentyloxyiminoacetic acid (PubChem CID 88615205) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-cyclopentyloxyiminoacetic acid.

Molecular Properties

Compound Name2-cyclopentyloxyiminoacetic acid
PubChem CID88615205
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-cyclopentyloxyiminoacetic acid
SMILESO=C(O)C=NOC1CCCC1
InChIInChI=1S/C7H11NO3/c9-7(10)5-8-11-6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyDJEGUBCHWDUDKB-UHFFFAOYSA-N
XLogP1.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.02
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 2-cyclopentyloxyiminoacetic acid?
The IUPAC name of 2-cyclopentyloxyiminoacetic acid (CID 88615205) is 2-cyclopentyloxyiminoacetic acid.
What is the SMILES notation for 2-cyclopentyloxyiminoacetic acid?
The canonical SMILES for 2-cyclopentyloxyiminoacetic acid is O=C(O)C=NOC1CCCC1.
What is the InChIKey of 2-cyclopentyloxyiminoacetic acid?
The InChIKey is DJEGUBCHWDUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)5-8-11-6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-cyclopentyloxyiminoacetic acid?
2-cyclopentyloxyiminoacetic acid has a molecular weight of 157.17 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyiminoacetic acid is sourced from PubChem (CID 88615205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).