3-[(Z)-ethylideneamino]oxypropanoic acid

C5H9NO3 — CID 145139886

IUPAC3-[(Z)-ethylideneamino]oxypropanoic acid
SMILESC/C=N\OCCC(=O)O
InChIInChI=1S/C5H9NO3/c1-2-6-9-4-3-5(7)8/h2H,3-4H2,1H3,(H,7,8)/b6-2-
InChIKeyLQTCDIFDVGAATG-KXFIGUGUSA-N
MW131.13 g/mol
LogP0.48
Rot. Bonds4

About 3-[(Z)-ethylideneamino]oxypropanoic acid

3-[(Z)-ethylideneamino]oxypropanoic acid (PubChem CID 145139886) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 3-[(Z)-ethylideneamino]oxypropanoic acid.

Molecular Properties

Compound Name3-[(Z)-ethylideneamino]oxypropanoic acid
PubChem CID145139886
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name3-[(Z)-ethylideneamino]oxypropanoic acid
SMILESC/C=N\OCCC(=O)O
InChIInChI=1S/C5H9NO3/c1-2-6-9-4-3-5(7)8/h2H,3-4H2,1H3,(H,7,8)/b6-2-
InChIKeyLQTCDIFDVGAATG-KXFIGUGUSA-N
XLogP0.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[(Z)-ethylideneamino]oxypropanoic acid?
The IUPAC name of 3-[(Z)-ethylideneamino]oxypropanoic acid (CID 145139886) is 3-[(Z)-ethylideneamino]oxypropanoic acid.
What is the SMILES notation for 3-[(Z)-ethylideneamino]oxypropanoic acid?
The canonical SMILES for 3-[(Z)-ethylideneamino]oxypropanoic acid is C/C=N\OCCC(=O)O.
What is the InChIKey of 3-[(Z)-ethylideneamino]oxypropanoic acid?
The InChIKey is LQTCDIFDVGAATG-KXFIGUGUSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-6-9-4-3-5(7)8/h2H,3-4H2,1H3,(H,7,8)/b6-2-.
What are the key properties of 3-[(Z)-ethylideneamino]oxypropanoic acid?
3-[(Z)-ethylideneamino]oxypropanoic acid has a molecular weight of 131.13 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-ethylideneamino]oxypropanoic acid is sourced from PubChem (CID 145139886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).