2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid

C14H22N2O3 — CID 82133860

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
SMILESCOc1ccc(C(C)(NN)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-13(2,3)10-8-9(6-7-11(10)19-5)14(4,16-15)12(17)18/h6-8,16H,15H2,1-5H3,(H,17,18)
InChIKeyLVLBULJGEZNJNN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid

2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid (PubChem CID 82133860) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
PubChem CID82133860
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
SMILESCOc1ccc(C(C)(NN)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-13(2,3)10-8-9(6-7-11(10)19-5)14(4,16-15)12(17)18/h6-8,16H,15H2,1-5H3,(H,17,18)
InChIKeyLVLBULJGEZNJNN-UHFFFAOYSA-N
XLogP1.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic 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-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82131743
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanenitrile
CID 82130982
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
(E)-4-(3-tert-butyl-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 82090753
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid (CID 82133860) is 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid is COc1ccc(C(C)(NN)C(=O)O)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid?
The InChIKey is LVLBULJGEZNJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-13(2,3)10-8-9(6-7-11(10)19-5)14(4,16-15)12(17)18/h6-8,16H,15H2,1-5H3,(H,17,18).
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid?
2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid is sourced from PubChem (CID 82133860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).