2-(3-hydrazinylphenyl)acetic acid

C8H10N2O2 — CID 57090948

IUPAC2-(3-hydrazinylphenyl)acetic acid
SMILESNNc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c9-10-7-3-1-2-6(4-7)5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
InChIKeyHYXPXDQLVAQKNU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.60
Rot. Bonds3

About 2-(3-hydrazinylphenyl)acetic acid

2-(3-hydrazinylphenyl)acetic acid (PubChem CID 57090948) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-hydrazinylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydrazinylphenyl)acetic acid
PubChem CID57090948
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(3-hydrazinylphenyl)acetic acid
SMILESNNc1cccc(CC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c9-10-7-3-1-2-6(4-7)5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
InChIKeyHYXPXDQLVAQKNU-UHFFFAOYSA-N
XLogP0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.60
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-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-[3-(4-methylanilino)phenyl]acetic acid
CID 155290701
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-(3-bromo-5-hydrazinylphenyl)acetic acid
CID 131091029
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinylphenyl)acetic acid?
The IUPAC name of 2-(3-hydrazinylphenyl)acetic acid (CID 57090948) is 2-(3-hydrazinylphenyl)acetic acid.
What is the SMILES notation for 2-(3-hydrazinylphenyl)acetic acid?
The canonical SMILES for 2-(3-hydrazinylphenyl)acetic acid is NNc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-hydrazinylphenyl)acetic acid?
The InChIKey is HYXPXDQLVAQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-10-7-3-1-2-6(4-7)5-8(11)12/h1-4,10H,5,9H2,(H,11,12).
What are the key properties of 2-(3-hydrazinylphenyl)acetic acid?
2-(3-hydrazinylphenyl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinylphenyl)acetic acid is sourced from PubChem (CID 57090948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).