3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid

C11H16N2O2 — CID 83013948

IUPAC3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
SMILESCN(C)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13(2)12-8-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3,(H,14,15)
InChIKeyUIRXMHGLUPECBG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds5

About 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid

3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid (PubChem CID 83013948) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
PubChem CID83013948
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
SMILESCN(C)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13(2)12-8-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3,(H,14,15)
InChIKeyUIRXMHGLUPECBG-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
CID 64559399
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62877970
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
4-(dimethylamino)-4-oxo-2-phenylbutanoic acid;methanesulfonic acid
CID 175181056

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid (CID 83013948) is 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid is CN(C)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid?
The InChIKey is UIRXMHGLUPECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(2)12-8-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid?
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 83013948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).