4-(3-hydrazinyl-3-oxopropoxy)benzoic acid

C10H12N2O4 — CID 23136072

IUPAC4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
SMILESNNC(=O)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12N2O4/c11-12-9(13)5-6-16-8-3-1-7(2-4-8)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChIKeyYSHLBJCTRMMRHE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.14
Rot. Bonds5

About 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid

4-(3-hydrazinyl-3-oxopropoxy)benzoic acid (PubChem CID 23136072) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid.

Molecular Properties

Compound Name4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
PubChem CID23136072
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
SMILESNNC(=O)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12N2O4/c11-12-9(13)5-6-16-8-3-1-7(2-4-8)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChIKeyYSHLBJCTRMMRHE-UHFFFAOYSA-N
XLogP0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
4-[3-(4-carboxyphenoxy)-3-oxopropoxy]benzoic acid
CID 57061143
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[3-[2-[2-fluoroethyl(methyl)amino]ethylamino]-3-oxopropoxy]benzoic acid
CID 142320007
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-(7-carboxyheptoxy)benzoic acid
CID 54128004

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid?
The IUPAC name of 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid (CID 23136072) is 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid.
What is the SMILES notation for 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid?
The canonical SMILES for 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid is NNC(=O)CCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid?
The InChIKey is YSHLBJCTRMMRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-12-9(13)5-6-16-8-3-1-7(2-4-8)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid?
4-(3-hydrazinyl-3-oxopropoxy)benzoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydrazinyl-3-oxopropoxy)benzoic acid is sourced from PubChem (CID 23136072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).