(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid

C12H14N4O4 — CID 23269447

IUPAC(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cccc(N/N=C(/C)C(=O)O)c1)C(=O)O
InChIInChI=1S/C12H14N4O4/c1-7(11(17)18)13-15-9-4-3-5-10(6-9)16-14-8(2)12(19)20/h3-6,15-16H,1-2H3,(H,17,18)(H,19,20)/b13-7-,14-8-
InChIKeyWERURNKNKUAVFX-PVRNWPCDSA-N
MW278.27 g/mol
LogP1.43
Rot. Bonds6

About (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid

(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid (PubChem CID 23269447) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
PubChem CID23269447
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cccc(N/N=C(/C)C(=O)O)c1)C(=O)O
InChIInChI=1S/C12H14N4O4/c1-7(11(17)18)13-15-9-4-3-5-10(6-9)16-14-8(2)12(19)20/h3-6,15-16H,1-2H3,(H,17,18)(H,19,20)/b13-7-,14-8-
InChIKeyWERURNKNKUAVFX-PVRNWPCDSA-N
XLogP1.43
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.43
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

(2E)-2-[[3-[(2E)-2-(1-carboxypropylidene)hydrazinyl]phenyl]hydrazinylidene]butanoic acid
CID 6392506
(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
CID 156507863
(2Z)-2-[(3,5-dichloro-4-fluorophenyl)hydrazinylidene]propanoic acid
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(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
CID 134113266
(2Z)-2-amino-2-[(3-methylphenyl)hydrazinylidene]acetic acid
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2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
CID 19168580
[(Z)-[(3Z)-3-(phenylhydrazinylidene)butan-2-ylidene]amino] acetate
CID 6413961
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
N'-anilino-2-oxopropanimidamide
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(2E)-2-(isoquinolin-5-ylhydrazinylidene)propanoic acid
CID 13266426

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid (CID 23269447) is (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid is C/C(=N/Nc1cccc(N/N=C(/C)C(=O)O)c1)C(=O)O.
What is the InChIKey of (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid?
The InChIKey is WERURNKNKUAVFX-PVRNWPCDSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-7(11(17)18)13-15-9-4-3-5-10(6-9)16-14-8(2)12(19)20/h3-6,15-16H,1-2H3,(H,17,18)(H,19,20)/b13-7-,14-8-.
What are the key properties of (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid?
(2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid has a molecular weight of 278.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-[(2Z)-2-(1-carboxyethylidene)hydrazinyl]phenyl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 23269447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).