4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid

C12H16N2O3 — CID 131854983

IUPAC4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
SMILESCOc1ccc(NN=C(C)CCC(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(3-8-12(15)16)13-14-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyBBJZFSACLUXACB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.35
Rot. Bonds6

About 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid

4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid (PubChem CID 131854983) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
PubChem CID131854983
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
SMILESCOc1ccc(NN=C(C)CCC(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(3-8-12(15)16)13-14-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyBBJZFSACLUXACB-UHFFFAOYSA-N
XLogP2.35
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
4-[(2Z)-2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinyl]benzoic acid
CID 9012740
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
N'-(4-methoxyanilino)-2-oxopropanimidamide
CID 6340122
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
4-[4-[2-(4-methoxyanilino)-2-oxoethoxy]carbonylanilino]-4-oxobutanoic acid
CID 19059206
2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid (CID 131854983) is 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid is COc1ccc(NN=C(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid?
The InChIKey is BBJZFSACLUXACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(3-8-12(15)16)13-14-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid?
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid is sourced from PubChem (CID 131854983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).