2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid

C13H20N2O3 — CID 82131743

IUPAC2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(C(C)(NN)C(=O)O)cc1C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)10-7-9(5-6-11(10)18-4)13(3,15-14)12(16)17/h5-8,15H,14H2,1-4H3,(H,16,17)
InChIKeyATCLCNHFFXZWPH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds5

About 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid

2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid (PubChem CID 82131743) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
PubChem CID82131743
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(C(C)(NN)C(=O)O)cc1C(C)C
InChIInChI=1S/C13H20N2O3/c1-8(2)10-7-9(5-6-11(10)18-4)13(3,15-14)12(16)17/h5-8,15H,14H2,1-4H3,(H,16,17)
InChIKeyATCLCNHFFXZWPH-UHFFFAOYSA-N
XLogP1.58
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
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-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic 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-(3-tert-butyl-4-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82133860
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227470
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid (CID 82131743) is 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid is COc1ccc(C(C)(NN)C(=O)O)cc1C(C)C.
What is the InChIKey of 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid?
The InChIKey is ATCLCNHFFXZWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)10-7-9(5-6-11(10)18-4)13(3,15-14)12(16)17/h5-8,15H,14H2,1-4H3,(H,16,17).
What are the key properties of 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid?
2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-(4-methoxy-3-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 82131743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).