4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid

C14H15N3O5 — CID 3374526

IUPAC4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)C=CC(=O)O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-11(18)15-10-5-3-9(4-6-10)14(22)17-16-12(19)7-8-13(20)21/h3-8H,2H2,1H3,(H,15,18)(H,16,19)(H,17,22)(H,20,21)
InChIKeyBPJWPCPDPNVQOG-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.44
Rot. Bonds5

About 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid

4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid (PubChem CID 3374526) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
PubChem CID3374526
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)C=CC(=O)O)cc1
InChIInChI=1S/C14H15N3O5/c1-2-11(18)15-10-5-3-9(4-6-10)14(22)17-16-12(19)7-8-13(20)21/h3-8H,2H2,1H3,(H,15,18)(H,16,19)(H,17,22)(H,20,21)
InChIKeyBPJWPCPDPNVQOG-UHFFFAOYSA-N
XLogP0.44
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic 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

(Z)-4-[2-[4-[(4-methylbenzoyl)amino]benzoyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 126381851
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
(E)-4-[4-(ethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17234256
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17353591
N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]pentanamide
CID 4925761
(E)-4-[4-(butanoylamino)anilino]-4-oxobut-2-enoic acid
CID 17202441
4-oxo-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]but-2-enoic acid
CID 123154414
3-(4-methylphenyl)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]prop-2-enamide
CID 3264075

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid?
The IUPAC name of 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid (CID 3374526) is 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid.
What is the SMILES notation for 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid?
The canonical SMILES for 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid is CCC(=O)Nc1ccc(C(=O)NNC(=O)C=CC(=O)O)cc1.
What is the InChIKey of 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid?
The InChIKey is BPJWPCPDPNVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-11(18)15-10-5-3-9(4-6-10)14(22)17-16-12(19)7-8-13(20)21/h3-8H,2H2,1H3,(H,15,18)(H,16,19)(H,17,22)(H,20,21).
What are the key properties of 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid?
4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid has a molecular weight of 305.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid is sourced from PubChem (CID 3374526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).