4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid

C12H14N2O5 — CID 2851747

IUPAC4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESCOc1cccc(C(=O)NNC(=O)CCC(=O)O)c1
InChIInChI=1S/C12H14N2O5/c1-19-9-4-2-3-8(7-9)12(18)14-13-10(15)5-6-11(16)17/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyCNEOMKSBGJWHJN-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.32
Rot. Bonds5

About 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid

4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid (PubChem CID 2851747) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid
PubChem CID2851747
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESCOc1cccc(C(=O)NNC(=O)CCC(=O)O)c1
InChIInChI=1S/C12H14N2O5/c1-19-9-4-2-3-8(7-9)12(18)14-13-10(15)5-6-11(16)17/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyCNEOMKSBGJWHJN-UHFFFAOYSA-N
XLogP0.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methoxybenzamide
CID 98487
4-Methoxybenzohydrazide
CID 76792
m-Hydroxybenzohydrazide
CID 79889
1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
m-Anisohydrazide
CID 79848
N'-(4,4,5,5,6,6,6-heptafluoro-1-methyl-3-oxo-1-hexenyl)-3-methoxybenzohydrazide
CID 5753962
N'-[(tert-butoxy)carbonyl]-4-methoxybenzohydrazide
CID 3117725
3,5-Dimethoxybenzohydrazide
CID 352312
4-Hydroxy-3-methoxybenzohydrazide
CID 468601
3,4-Dimethoxybenzohydrazide
CID 1530859
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
N'-cinnamoyl-3-methoxybenzohydrazide
CID 795407

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid (CID 2851747) is 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid is COc1cccc(C(=O)NNC(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid?
The InChIKey is CNEOMKSBGJWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-9-4-2-3-8(7-9)12(18)14-13-10(15)5-6-11(16)17/h2-4,7H,5-6H2,1H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid?
4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxybenzoyl)hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 2851747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).