2-[2-(hydrazinylmethyl)phenoxy]acetic acid

C9H12N2O3 — CID 130403139

IUPAC2-[2-(hydrazinylmethyl)phenoxy]acetic acid
SMILESNNCc1ccccc1OCC(=O)O
InChIInChI=1S/C9H12N2O3/c10-11-5-7-3-1-2-4-8(7)14-6-9(12)13/h1-4,11H,5-6,10H2,(H,12,13)
InChIKeyUHTFAEVOAWFNGJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds5

About 2-[2-(hydrazinylmethyl)phenoxy]acetic acid

2-[2-(hydrazinylmethyl)phenoxy]acetic acid (PubChem CID 130403139) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[2-(hydrazinylmethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(hydrazinylmethyl)phenoxy]acetic acid
PubChem CID130403139
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[2-(hydrazinylmethyl)phenoxy]acetic acid
SMILESNNCc1ccccc1OCC(=O)O
InChIInChI=1S/C9H12N2O3/c10-11-5-7-3-1-2-4-8(7)14-6-9(12)13/h1-4,11H,5-6,10H2,(H,12,13)
InChIKeyUHTFAEVOAWFNGJ-UHFFFAOYSA-N
XLogP0.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.11
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'}

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Related Compounds

2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-[[2-(carboxymethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 102535695
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
CID 131854846
CID 131854846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydrazinylmethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(hydrazinylmethyl)phenoxy]acetic acid (CID 130403139) is 2-[2-(hydrazinylmethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(hydrazinylmethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(hydrazinylmethyl)phenoxy]acetic acid is NNCc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(hydrazinylmethyl)phenoxy]acetic acid?
The InChIKey is UHTFAEVOAWFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-11-5-7-3-1-2-4-8(7)14-6-9(12)13/h1-4,11H,5-6,10H2,(H,12,13).
What are the key properties of 2-[2-(hydrazinylmethyl)phenoxy]acetic acid?
2-[2-(hydrazinylmethyl)phenoxy]acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydrazinylmethyl)phenoxy]acetic acid is sourced from PubChem (CID 130403139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).