2-cyclopropyl-2-hydroxyiminoacetic acid

C5H7NO3 — CID 73069091

IUPAC2-cyclopropyl-2-hydroxyiminoacetic acid
SMILESO=C(O)C(=NO)C1CC1
InChIInChI=1S/C5H7NO3/c7-5(8)4(6-9)3-1-2-3/h3,9H,1-2H2,(H,7,8)
InChIKeyNHMGZOVZUSJJTF-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.31
Rot. Bonds2

About 2-cyclopropyl-2-hydroxyiminoacetic acid

2-cyclopropyl-2-hydroxyiminoacetic acid (PubChem CID 73069091) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxyiminoacetic acid
PubChem CID73069091
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name2-cyclopropyl-2-hydroxyiminoacetic acid
SMILESO=C(O)C(=NO)C1CC1
InChIInChI=1S/C5H7NO3/c7-5(8)4(6-9)3-1-2-3/h3,9H,1-2H2,(H,7,8)
InChIKeyNHMGZOVZUSJJTF-UHFFFAOYSA-N
XLogP0.31
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.31
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 2-cyclopropyl-2-hydroxyiminoacetic acid?
The IUPAC name of 2-cyclopropyl-2-hydroxyiminoacetic acid (CID 73069091) is 2-cyclopropyl-2-hydroxyiminoacetic acid.
What is the SMILES notation for 2-cyclopropyl-2-hydroxyiminoacetic acid?
The canonical SMILES for 2-cyclopropyl-2-hydroxyiminoacetic acid is O=C(O)C(=NO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxyiminoacetic acid?
The InChIKey is NHMGZOVZUSJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-5(8)4(6-9)3-1-2-3/h3,9H,1-2H2,(H,7,8).
What are the key properties of 2-cyclopropyl-2-hydroxyiminoacetic acid?
2-cyclopropyl-2-hydroxyiminoacetic acid has a molecular weight of 129.12 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxyiminoacetic acid is sourced from PubChem (CID 73069091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).