(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid

C8H12N2O4 — CID 15225454

IUPAC(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCC(C)C(=O)NNC(=O)/C=C\C(=O)O
InChIInChI=1S/C8H12N2O4/c1-5(2)8(14)10-9-6(11)3-4-7(12)13/h3-5H,1-2H3,(H,9,11)(H,10,14)(H,12,13)/b4-3-
InChIKeyXLYVXTQMCIKEQP-ARJAWSKDSA-N
MW200.19 g/mol
LogP-0.57
Rot. Bonds3

About (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid

(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 15225454) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID15225454
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCC(C)C(=O)NNC(=O)/C=C\C(=O)O
InChIInChI=1S/C8H12N2O4/c1-5(2)8(14)10-9-6(11)3-4-7(12)13/h3-5H,1-2H3,(H,9,11)(H,10,14)(H,12,13)/b4-3-
InChIKeyXLYVXTQMCIKEQP-ARJAWSKDSA-N
XLogP-0.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
(E)-4-(hydroxyamino)-4-oxobut-2-enoic acid
CID 5478306
(E)-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 82238994
(2-methylpropanoylamino)urea
CID 60704517
4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]but-2-enoic acid
CID 4161286
but-2-enedioic acid;propan-2-ylhydrazine
CID 159437299
4-(2-hydroxypropylamino)-4-oxobut-2-enoic acid
CID 71359161
(E)-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobut-2-enoic acid
CID 43545477
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
4-(carboxyamino)-4-oxobut-2-enoic acid
CID 152778662
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
CID 15879887

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid (CID 15225454) is (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid is CC(C)C(=O)NNC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid?
The InChIKey is XLYVXTQMCIKEQP-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(2)8(14)10-9-6(11)3-4-7(12)13/h3-5H,1-2H3,(H,9,11)(H,10,14)(H,12,13)/b4-3-.
What are the key properties of (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid?
(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid has a molecular weight of 200.19 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 15225454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).