3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid

C6H16N2O6S — CID 87301928

IUPAC3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid
SMILESCC(CC(=O)O)NN(C)C.O=S(=O)(O)O
InChIInChI=1S/C6H14N2O2.H2O4S/c1-5(4-6(9)10)7-8(2)3;1-5(2,3)4/h5,7H,4H2,1-3H3,(H,9,10);(H2,1,2,3,4)
InChIKeyORWWILOQYCMQNE-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.74
Rot. Bonds4

About 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid

3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid (PubChem CID 87301928) has the molecular formula C6H16N2O6S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid
PubChem CID87301928
Molecular FormulaC6H16N2O6S
Molecular Weight244.27 g/mol
Exact Mass244.07
IUPAC Name3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid
SMILESCC(CC(=O)O)NN(C)C.O=S(=O)(O)O
InChIInChI=1S/C6H14N2O2.H2O4S/c1-5(4-6(9)10)7-8(2)3;1-5(2,3)4/h5,7H,4H2,1-3H3,(H,9,10);(H2,1,2,3,4)
InChIKeyORWWILOQYCMQNE-UHFFFAOYSA-N
XLogP-0.74
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid (CID 87301928) is 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid is CC(CC(=O)O)NN(C)C.O=S(=O)(O)O.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid?
The InChIKey is ORWWILOQYCMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.H2O4S/c1-5(4-6(9)10)7-8(2)3;1-5(2,3)4/h5,7H,4H2,1-3H3,(H,9,10);(H2,1,2,3,4).
What are the key properties of 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid?
3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid has a molecular weight of 244.27 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)butanoic acid;sulfuric acid is sourced from PubChem (CID 87301928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).