methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate

C11H16N2O2 — CID 83006457

IUPACmethyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(CNN(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-13(2)12-8-9-4-6-10(7-5-9)11(14)15-3/h4-7,12H,8H2,1-3H3
InChIKeyAZLQEDBIRHYVGJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds4

About methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate

methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate (PubChem CID 83006457) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate
PubChem CID83006457
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(CNN(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-13(2)12-8-9-4-6-10(7-5-9)11(14)15-3/h4-7,12H,8H2,1-3H3
InChIKeyAZLQEDBIRHYVGJ-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 43214630
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[2-(dimethylcarbamoylamino)ethylamino]methyl]benzoate
CID 83109550
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
methyl 4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoate
CID 81356687
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 4-[[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]methyl]benzoate
CID 8712059

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate?
The IUPAC name of methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate (CID 83006457) is methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate is COC(=O)c1ccc(CNN(C)C)cc1.
What is the InChIKey of methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate?
The InChIKey is AZLQEDBIRHYVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)12-8-9-4-6-10(7-5-9)11(14)15-3/h4-7,12H,8H2,1-3H3.
What are the key properties of methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate?
methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate has a molecular weight of 208.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,2-dimethylhydrazinyl)methyl]benzoate is sourced from PubChem (CID 83006457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).