(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid

C12H20N2O4 — CID 20617506

IUPAC(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N/N=C(/C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-11(2,3)7(9(15)16)13-14-8(10(17)18)12(4,5)6/h1-6H3,(H,15,16)(H,17,18)/b13-7-,14-8+
InChIKeyIHSKQPSDNUZPGW-MFUUIURDSA-N
MW256.30 g/mol
LogP2.04
Rot. Bonds3

About (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid

(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid (PubChem CID 20617506) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
PubChem CID20617506
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)/C(=N/N=C(/C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-11(2,3)7(9(15)16)13-14-8(10(17)18)12(4,5)6/h1-6H3,(H,15,16)(H,17,18)/b13-7-,14-8+
InChIKeyIHSKQPSDNUZPGW-MFUUIURDSA-N
XLogP2.04
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The IUPAC name of (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid (CID 20617506) is (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid is CC(C)(C)/C(=N/N=C(/C(=O)O)C(C)(C)C)C(=O)O.
What is the InChIKey of (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The InChIKey is IHSKQPSDNUZPGW-MFUUIURDSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2,3)7(9(15)16)13-14-8(10(17)18)12(4,5)6/h1-6H3,(H,15,16)(H,17,18)/b13-7-,14-8+.
What are the key properties of (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
(2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 20617506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).