2-(2-hydrazinyl-6-methoxyphenyl)acetic acid

C9H12N2O3 — CID 131028990

IUPAC2-(2-hydrazinyl-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(NN)c1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-8-4-2-3-7(11-10)6(8)5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyJYQPWAWPAXTNFW-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.61
Rot. Bonds4

About 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid

2-(2-hydrazinyl-6-methoxyphenyl)acetic acid (PubChem CID 131028990) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydrazinyl-6-methoxyphenyl)acetic acid
PubChem CID131028990
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-hydrazinyl-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(NN)c1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-14-8-4-2-3-7(11-10)6(8)5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyJYQPWAWPAXTNFW-UHFFFAOYSA-N
XLogP0.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.61
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-(chloromethyl)-3-methoxyphenyl]hydrazine
CID 118832500
2-(2-ethyl-3-hydrazinylphenyl)acetic acid
CID 131001227
(2,3-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619580
2-[2-(2-bromopropanoyl)-6-methoxyphenyl]acetic acid
CID 170838227
2,6-dimethoxybenzohydrazide
CID 2806104
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
(2-chloro-3-methoxyphenyl)hydrazine
CID 55279631
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
N-(2-amino-2-methylpropyl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119628885
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid (CID 131028990) is 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid is COc1cccc(NN)c1CC(=O)O.
What is the InChIKey of 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid?
The InChIKey is JYQPWAWPAXTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-8-4-2-3-7(11-10)6(8)5-9(12)13/h2-4,11H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid?
2-(2-hydrazinyl-6-methoxyphenyl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-6-methoxyphenyl)acetic acid is sourced from PubChem (CID 131028990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).