4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid

C9H14N2O3 — CID 103260997

IUPAC4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNN(C)C
InChIInChI=1S/C9H14N2O3/c1-6-7(5-10-11(2)3)4-8(14-6)9(12)13/h4,10H,5H2,1-3H3,(H,12,13)
InChIKeyBPGSBOMWLKDCGE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds4

About 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid

4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103260997) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
PubChem CID103260997
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNN(C)C
InChIInChI=1S/C9H14N2O3/c1-6-7(5-10-11(2)3)4-8(14-6)9(12)13/h4,10H,5H2,1-3H3,(H,12,13)
InChIKeyBPGSBOMWLKDCGE-UHFFFAOYSA-N
XLogP0.85
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid 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

4-[[1-(dimethylamino)propan-2-ylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260846
4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 844983
4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103261487
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 114156102
5-methyl-4-[(1-phenylethylamino)methyl]furan-2-carboxylic acid
CID 103230800
4-[[(3,4-difluorophenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103244446
5-methyl-4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 114139246
5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 62274485
4-[(1,3-benzodioxol-5-ylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103235066
4-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103263294
4-[(6-hydroxyhexylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 107853711
4-[(2,6-diethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103248273

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid (CID 103260997) is 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNN(C)C.
What is the InChIKey of 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is BPGSBOMWLKDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-7(5-10-11(2)3)4-8(14-6)9(12)13/h4,10H,5H2,1-3H3,(H,12,13).
What are the key properties of 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid?
4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103260997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).