ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate

C13H18N2O5 — CID 171897778

IUPACethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C13H18N2O5/c1-2-20-11(17)7-10(16)12(18)8-4-3-5-9(6-8)13(19)15-14/h3-6,10,12,16,18H,2,7,14H2,1H3,(H,15,19)
InChIKeyFXAPLHFQPYZTJJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.36
Rot. Bonds6

About ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate

ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate (PubChem CID 171897778) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate
PubChem CID171897778
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C13H18N2O5/c1-2-20-11(17)7-10(16)12(18)8-4-3-5-9(6-8)13(19)15-14/h3-6,10,12,16,18H,2,7,14H2,1H3,(H,15,19)
InChIKeyFXAPLHFQPYZTJJ-UHFFFAOYSA-N
XLogP-0.36
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
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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Related Compounds

ethyl 4-(3-carbamothioylphenyl)-3,4-dihydroxybutanoate
CID 171897396
ethyl 3,4-dihydroxy-4-[3-(2-oxopropyl)phenyl]butanoate
CID 171897723
methyl 4-(3-carbamoylphenyl)-3,4-dihydroxybutanoate
CID 171895716
ethyl 3,4-dihydroxy-4-(3-trimethylsilylphenyl)butanoate
CID 171897631
ethyl 4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171896907
ethyl 3,4-dihydroxy-4-[3-(2-hydroxyethyl)phenyl]butanoate
CID 171897327
3-[3-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)phenyl]propanoic acid
CID 171897946
methyl 4-(3-carbamimidoylphenyl)-3,4-dihydroxybutanoate
CID 171895560
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
ethyl 3,4-dihydroxy-4-(3-piperazin-1-ylphenyl)butanoate
CID 171898198
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 4-(1,3-dioxo-2-benzofuran-5-yl)-3,4-dihydroxybutanoate
CID 171898129

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate (CID 171897778) is ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1cccc(C(=O)NN)c1.
What is the InChIKey of ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate?
The InChIKey is FXAPLHFQPYZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-20-11(17)7-10(16)12(18)8-4-3-5-9(6-8)13(19)15-14/h3-6,10,12,16,18H,2,7,14H2,1H3,(H,15,19).
What are the key properties of ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate?
ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate has a molecular weight of 282.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutanoate is sourced from PubChem (CID 171897778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).