4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid

C13H19N3O4 — CID 59448109

IUPAC4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid
SMILESNNc1cccc(OCCCNC(=O)CCC(=O)O)c1
InChIInChI=1S/C13H19N3O4/c14-16-10-3-1-4-11(9-10)20-8-2-7-15-12(17)5-6-13(18)19/h1,3-4,9,16H,2,5-8,14H2,(H,15,17)(H,18,19)
InChIKeyLGYCVDGUJDFWBZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.72
Rot. Bonds9

About 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid

4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid (PubChem CID 59448109) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid
PubChem CID59448109
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid
SMILESNNc1cccc(OCCCNC(=O)CCC(=O)O)c1
InChIInChI=1S/C13H19N3O4/c14-16-10-3-1-4-11(9-10)20-8-2-7-15-12(17)5-6-13(18)19/h1,3-4,9,16H,2,5-8,14H2,(H,15,17)(H,18,19)
InChIKeyLGYCVDGUJDFWBZ-UHFFFAOYSA-N
XLogP0.72
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
4-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22683551
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid (CID 59448109) is 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid is NNc1cccc(OCCCNC(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid?
The InChIKey is LGYCVDGUJDFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c14-16-10-3-1-4-11(9-10)20-8-2-7-15-12(17)5-6-13(18)19/h1,3-4,9,16H,2,5-8,14H2,(H,15,17)(H,18,19).
What are the key properties of 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid?
4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.72, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 59448109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).