2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid

C11H14N2O4 — CID 134640848

IUPAC2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid
SMILESCCOC(=O)c1cc(CC(=O)O)ccc1NN
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)8-5-7(6-10(14)15)3-4-9(8)13-12/h3-5,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyWAGXCRWOWCFTGY-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.78
Rot. Bonds5

About 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid

2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid (PubChem CID 134640848) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid
PubChem CID134640848
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid
SMILESCCOC(=O)c1cc(CC(=O)O)ccc1NN
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)8-5-7(6-10(14)15)3-4-9(8)13-12/h3-5,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyWAGXCRWOWCFTGY-UHFFFAOYSA-N
XLogP0.78
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

ethyl 5-(bromomethyl)-2-hydrazinylbenzoate
CID 134648710
2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
CID 21261764
2-[4-(3-bromopropanoyl)-3-ethoxycarbonylphenyl]acetic acid
CID 134640830
3-(3-ethoxycarbonyl-4-methylphenyl)propanoic acid
CID 134633483
2-(2-ethoxycarbonyl-5-ethylbenzoyl)oxyacetic acid
CID 101299980
2-(2-ethoxycarbonyl-4-ethylbenzoyl)oxyacetic acid
CID 101299981
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
3-(4-bromo-3-ethoxycarbonylphenyl)propanoic acid
CID 134631967
ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207
ethyl 2-iodo-5-(2-oxopropyl)benzoate
CID 134642714
5-[4-(carboxymethyl)phenyl]sulfanyl-2-ethoxycarbonylbenzoic acid
CID 91879258
5-(3-bromo-2-oxopropyl)-2-ethoxycarbonylbenzoic acid
CID 134641855

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid?
The IUPAC name of 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid (CID 134640848) is 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid?
The canonical SMILES for 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid is CCOC(=O)c1cc(CC(=O)O)ccc1NN.
What is the InChIKey of 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid?
The InChIKey is WAGXCRWOWCFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-11(16)8-5-7(6-10(14)15)3-4-9(8)13-12/h3-5,13H,2,6,12H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid?
2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid is sourced from PubChem (CID 134640848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).