methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate

C12H16N2O6 — CID 171864955

IUPACmethyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C12H16N2O6/c1-19-12(18)11(17)10(16)7-4-2-3-5-8(7)20-6-9(15)14-13/h2-5,10-11,16-17H,6,13H2,1H3,(H,14,15)
InChIKeySIMNXOMOUULTPB-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.38
Rot. Bonds6

About methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate

methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate (PubChem CID 171864955) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
PubChem CID171864955
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Namemethyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C12H16N2O6/c1-19-12(18)11(17)10(16)7-4-2-3-5-8(7)20-6-9(15)14-13/h2-5,10-11,16-17H,6,13H2,1H3,(H,14,15)
InChIKeySIMNXOMOUULTPB-UHFFFAOYSA-N
XLogP-1.38
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Related Compounds

3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
CID 170824858
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
CID 170828919
2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide
CID 171858840
2-[2-(4-chloro-1,2-dihydroxybutyl)phenoxy]acetohydrazide
CID 171894702
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 171864626
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate (CID 171864955) is methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccccc1OCC(=O)NN.
What is the InChIKey of methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate?
The InChIKey is SIMNXOMOUULTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-19-12(18)11(17)10(16)7-4-2-3-5-8(7)20-6-9(15)14-13/h2-5,10-11,16-17H,6,13H2,1H3,(H,14,15).
What are the key properties of methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate?
methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate has a molecular weight of 284.27 g/mol, XLogP of -1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 171864955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).