2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid

C10H14N2O3 — CID 83025083

IUPAC2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NN(C)C)c1
InChIInChI=1S/C10H14N2O3/c1-12(2)11-9-6-7(15-3)4-5-8(9)10(13)14/h4-6,11H,1-3H3,(H,13,14)
InChIKeyPRJFPJHSOKZTEW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.28
Rot. Bonds4

About 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid

2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid (PubChem CID 83025083) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
PubChem CID83025083
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NN(C)C)c1
InChIInChI=1S/C10H14N2O3/c1-12(2)11-9-6-7(15-3)4-5-8(9)10(13)14/h4-6,11H,1-3H3,(H,13,14)
InChIKeyPRJFPJHSOKZTEW-UHFFFAOYSA-N
XLogP1.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
CID 83016164
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
CID 115412313
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid (CID 83025083) is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NN(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid?
The InChIKey is PRJFPJHSOKZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(2)11-9-6-7(15-3)4-5-8(9)10(13)14/h4-6,11H,1-3H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid?
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid is sourced from PubChem (CID 83025083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).