2-(2-hydrazinylphenyl)butanoic acid

C10H14N2O2 — CID 69250626

IUPAC2-(2-hydrazinylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccccc1NN
InChIInChI=1S/C10H14N2O2/c1-2-7(10(13)14)8-5-3-4-6-9(8)12-11/h3-7,12H,2,11H2,1H3,(H,13,14)
InChIKeyKJSJVQAZFLQPTF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-hydrazinylphenyl)butanoic acid

2-(2-hydrazinylphenyl)butanoic acid (PubChem CID 69250626) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-hydrazinylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(2-hydrazinylphenyl)butanoic acid
PubChem CID69250626
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-hydrazinylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccccc1NN
InChIInChI=1S/C10H14N2O2/c1-2-7(10(13)14)8-5-3-4-6-9(8)12-11/h3-7,12H,2,11H2,1H3,(H,13,14)
InChIKeyKJSJVQAZFLQPTF-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
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-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-[2-(dichloroamino)phenyl]butanoic acid
CID 87554426
[2-(2,2-dimethylpentan-3-yl)phenyl]hydrazine
CID 146222663
N-[2-(1-oxo-1-phenylbutan-2-yl)phenyl]benzamide
CID 134947552
2-[2-(1-bromo-2-oxoethyl)phenyl]butanoic acid
CID 175122701
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341
3-amino-2-(2-pentan-3-ylphenyl)propanoic acid
CID 115006048
2-[3-chloro-2-(methylamino)phenyl]butanoic acid
CID 145408218
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
2-[5,6-bis(oxomethylidene)cyclohexa-1,3-dien-1-yl]butanoic acid
CID 141268834
2-[5-(1-carboxypropyl)-1H-pyrrol-2-yl]butanoic acid
CID 91307297

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinylphenyl)butanoic acid?
The IUPAC name of 2-(2-hydrazinylphenyl)butanoic acid (CID 69250626) is 2-(2-hydrazinylphenyl)butanoic acid.
What is the SMILES notation for 2-(2-hydrazinylphenyl)butanoic acid?
The canonical SMILES for 2-(2-hydrazinylphenyl)butanoic acid is CCC(C(=O)O)c1ccccc1NN.
What is the InChIKey of 2-(2-hydrazinylphenyl)butanoic acid?
The InChIKey is KJSJVQAZFLQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-7(10(13)14)8-5-3-4-6-9(8)12-11/h3-7,12H,2,11H2,1H3,(H,13,14).
What are the key properties of 2-(2-hydrazinylphenyl)butanoic acid?
2-(2-hydrazinylphenyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinylphenyl)butanoic acid is sourced from PubChem (CID 69250626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).