3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid

C11H14N2O6 — CID 170824858

IUPAC3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
SMILESNNC(=O)COc1ccccc1C(O)C(O)C(=O)O
InChIInChI=1S/C11H14N2O6/c12-13-8(14)5-19-7-4-2-1-3-6(7)9(15)10(16)11(17)18/h1-4,9-10,15-16H,5,12H2,(H,13,14)(H,17,18)
InChIKeyXSYBYAZIFSQDJO-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.47
Rot. Bonds6

About 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid

3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid (PubChem CID 170824858) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
PubChem CID170824858
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
SMILESNNC(=O)COc1ccccc1C(O)C(O)C(=O)O
InChIInChI=1S/C11H14N2O6/c12-13-8(14)5-19-7-4-2-1-3-6(7)9(15)10(16)11(17)18/h1-4,9-10,15-16H,5,12H2,(H,13,14)(H,17,18)
InChIKeyXSYBYAZIFSQDJO-UHFFFAOYSA-N
XLogP-1.47
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid (CID 170824858) is 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid is NNC(=O)COc1ccccc1C(O)C(O)C(=O)O.
What is the InChIKey of 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid?
The InChIKey is XSYBYAZIFSQDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c12-13-8(14)5-19-7-4-2-1-3-6(7)9(15)10(16)11(17)18/h1-4,9-10,15-16H,5,12H2,(H,13,14)(H,17,18).
What are the key properties of 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid?
3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid has a molecular weight of 270.24 g/mol, XLogP of -1.47, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170824858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).