2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid

C8H13NO3 — CID 167352426

IUPAC2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
SMILESC/C(=N\OCC(=O)O)C1(C)CC1
InChIInChI=1S/C8H13NO3/c1-6(8(2)3-4-8)9-12-5-7(10)11/h3-5H2,1-2H3,(H,10,11)/b9-6+
InChIKeyUWEBOTDRXMPXFO-RMKNXTFCSA-N
MW171.20 g/mol
LogP1.26
Rot. Bonds4

About 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid

2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid (PubChem CID 167352426) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
PubChem CID167352426
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
SMILESC/C(=N\OCC(=O)O)C1(C)CC1
InChIInChI=1S/C8H13NO3/c1-6(8(2)3-4-8)9-12-5-7(10)11/h3-5H2,1-2H3,(H,10,11)/b9-6+
InChIKeyUWEBOTDRXMPXFO-RMKNXTFCSA-N
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.26
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-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid (CID 167352426) is 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid is C/C(=N\OCC(=O)O)C1(C)CC1.
What is the InChIKey of 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid?
The InChIKey is UWEBOTDRXMPXFO-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(8(2)3-4-8)9-12-5-7(10)11/h3-5H2,1-2H3,(H,10,11)/b9-6+.
What are the key properties of 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid?
2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid has a molecular weight of 171.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid is sourced from PubChem (CID 167352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).