(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid

C14H18N4O4 — CID 6392506

IUPAC(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
SMILESCC/C(=N\Nc1cccc(N/N=C(\CC)C(=O)O)c1)C(=O)O
InChIInChI=1S/C14H18N4O4/c1-3-11(13(19)20)17-15-9-6-5-7-10(8-9)16-18-12(4-2)14(21)22/h5-8,15-16H,3-4H2,1-2H3,(H,19,20)(H,21,22)/b17-11+,18-12+
InChIKeyAJKNHGCVTGKWRP-JYFOCSDGSA-N
MW306.32 g/mol
LogP2.21
Rot. Bonds8

About (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid

(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid (PubChem CID 6392506) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid.

Molecular Properties

Compound Name(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
PubChem CID6392506
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
SMILESCC/C(=N\Nc1cccc(N/N=C(\CC)C(=O)O)c1)C(=O)O
InChIInChI=1S/C14H18N4O4/c1-3-11(13(19)20)17-15-9-6-5-7-10(8-9)16-18-12(4-2)14(21)22/h5-8,15-16H,3-4H2,1-2H3,(H,19,20)(H,21,22)/b17-11+,18-12+
InChIKeyAJKNHGCVTGKWRP-JYFOCSDGSA-N
XLogP2.21
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(phenylhydrazinylidene)pentan-2-one
CID 23263615
(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
CID 23269447
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
2-(phenylhydrazinylidene)hexanoate
CID 57359440
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
methyl (2Z)-2-[(3-bromo-4-chlorophenyl)hydrazinylidene]butanoate
CID 156758686
ethyl (1E)-N-(3-chlorophenyl)-2-cyclopropyl-2-oxoethanehydrazonate
CID 134110614
(4E)-5-ethoxy-5-oxo-4-[[3-(trifluoromethoxy)phenyl]hydrazinylidene]pentanoic acid
CID 15703038
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
CID 11277499

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid?
The IUPAC name of (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid (CID 6392506) is (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid.
What is the SMILES notation for (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid?
The canonical SMILES for (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid is CC/C(=N\Nc1cccc(N/N=C(\CC)C(=O)O)c1)C(=O)O.
What is the InChIKey of (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid?
The InChIKey is AJKNHGCVTGKWRP-JYFOCSDGSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-3-11(13(19)20)17-15-9-6-5-7-10(8-9)16-18-12(4-2)14(21)22/h5-8,15-16H,3-4H2,1-2H3,(H,19,20)(H,21,22)/b17-11+,18-12+.
What are the key properties of (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid?
(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid has a molecular weight of 306.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid is sourced from PubChem (CID 6392506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).