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

C13H20N2O2 — CID 82129570

IUPAC2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(NN)C(=O)O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)11-6-4-10(5-7-11)8-13(3,15-14)12(16)17/h4-7,9,15H,8,14H2,1-3H3,(H,16,17)
InChIKeyLWQDGQUJZYSRBW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds5

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

2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 82129570) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID82129570
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(CC(C)(NN)C(=O)O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)11-6-4-10(5-7-11)8-13(3,15-14)12(16)17/h4-7,9,15H,8,14H2,1-3H3,(H,16,17)
InChIKeyLWQDGQUJZYSRBW-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
3-(3,4-diphosphonooxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 134365987
N'-(2-aminoethyl)ethane-1,2-diamine;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 174869413
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid
CID 79014906
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 106490120
(2S)-2-hydrazinyl-2-methyl-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acid
CID 121225238
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 43089477
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid (CID 82129570) is 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(CC(C)(NN)C(=O)O)cc1.
What is the InChIKey of 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is LWQDGQUJZYSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)11-6-4-10(5-7-11)8-13(3,15-14)12(16)17/h4-7,9,15H,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid?
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 82129570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).