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

C12H20N2O4 — CID 59087604

IUPAC2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(=NN=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)
InChIKeyIHSKQPSDNUZPGW-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.04
Rot. Bonds3

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

2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid (PubChem CID 59087604) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
PubChem CID59087604
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(=NN=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)
InChIKeyIHSKQPSDNUZPGW-UHFFFAOYSA-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 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid (CID 59087604) is 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid is CC(C)(C)C(=NN=C(C(=O)O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
The InChIKey is IHSKQPSDNUZPGW-UHFFFAOYSA-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).
What are the key properties of 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid?
2-[(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 2-[(1-carboxy-2,2-dimethylpropylidene)hydrazinylidene]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 59087604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).