3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid

C12H18N2O4 — CID 166652499

IUPAC3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid
SMILESCCC(c1cc(O)ccc1O)C(C)(NN)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-9(12(2,14-13)11(17)18)8-6-7(15)4-5-10(8)16/h4-6,9,14-16H,3,13H2,1-2H3,(H,17,18)
InChIKeyDXILXJAMQDUBSC-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.90
Rot. Bonds5

About 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid

3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid (PubChem CID 166652499) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid
PubChem CID166652499
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid
SMILESCCC(c1cc(O)ccc1O)C(C)(NN)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-9(12(2,14-13)11(17)18)8-6-7(15)4-5-10(8)16/h4-6,9,14-16H,3,13H2,1-2H3,(H,17,18)
InChIKeyDXILXJAMQDUBSC-UHFFFAOYSA-N
XLogP0.90
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic 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

2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055932
2-amino-4-(2,5-dihydroxyphenyl)hexanoic acid
CID 174512800
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
CID 61210705
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
CID 115356029
ethyl (3S)-3-amino-3-(2,5-dihydroxyphenyl)propanoate
CID 171220684
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid (CID 166652499) is 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid is CCC(c1cc(O)ccc1O)C(C)(NN)C(=O)O.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid?
The InChIKey is DXILXJAMQDUBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-9(12(2,14-13)11(17)18)8-6-7(15)4-5-10(8)16/h4-6,9,14-16H,3,13H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid?
3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpentanoic acid is sourced from PubChem (CID 166652499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).