2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid

C9H14N2O3 — CID 82855884

IUPAC2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid
SMILESO=C(O)CON=C1CCN2CCCC12
InChIInChI=1S/C9H14N2O3/c12-9(13)6-14-10-7-3-5-11-4-1-2-8(7)11/h8H,1-6H2,(H,12,13)
InChIKeyIDZRHUPZUWZMNN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.31
Rot. Bonds3

About 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid

2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid (PubChem CID 82855884) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid
PubChem CID82855884
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid
SMILESO=C(O)CON=C1CCN2CCCC12
InChIInChI=1S/C9H14N2O3/c12-9(13)6-14-10-7-3-5-11-4-1-2-8(7)11/h8H,1-6H2,(H,12,13)
InChIKeyIDZRHUPZUWZMNN-UHFFFAOYSA-N
XLogP0.31
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid?
The IUPAC name of 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid (CID 82855884) is 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid?
The canonical SMILES for 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid is O=C(O)CON=C1CCN2CCCC12.
What is the InChIKey of 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid?
The InChIKey is IDZRHUPZUWZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-9(13)6-14-10-7-3-5-11-4-1-2-8(7)11/h8H,1-6H2,(H,12,13).
What are the key properties of 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid?
2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6,7,8-hexahydropyrrolizin-1-ylideneamino)oxyacetic acid is sourced from PubChem (CID 82855884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).