ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid

C7H18N2O6S — CID 87301927

IUPACethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
SMILESCCOC(=O)CCNN(C)C.O=S(=O)(O)O
InChIInChI=1S/C7H16N2O2.H2O4S/c1-4-11-7(10)5-6-8-9(2)3;1-5(2,3)4/h8H,4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyCAKQLWFOLNPVIK-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.65
Rot. Bonds5

About ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid

ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid (PubChem CID 87301927) has the molecular formula C7H18N2O6S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
PubChem CID87301927
Molecular FormulaC7H18N2O6S
Molecular Weight258.30 g/mol
Exact Mass258.09
IUPAC Nameethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
SMILESCCOC(=O)CCNN(C)C.O=S(=O)(O)O
InChIInChI=1S/C7H16N2O2.H2O4S/c1-4-11-7(10)5-6-8-9(2)3;1-5(2,3)4/h8H,4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyCAKQLWFOLNPVIK-UHFFFAOYSA-N
XLogP-0.65
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl propanoate;methanesulfonic acid
CID 159764839
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
4-ethoxy-4-oxobutane-1-sulfonic acid
CID 87764562
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
ethyl 3-(octylamino)propanoate
CID 46318537
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-aminopropanoate;ethyl 3-formamidopropanoate
CID 19964836
ethyl 4-chloro-3-oxobutanoate;methanesulfonic acid
CID 172837114

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The IUPAC name of ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid (CID 87301927) is ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid.
What is the SMILES notation for ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The canonical SMILES for ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid is CCOC(=O)CCNN(C)C.O=S(=O)(O)O.
What is the InChIKey of ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The InChIKey is CAKQLWFOLNPVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.H2O4S/c1-4-11-7(10)5-6-8-9(2)3;1-5(2,3)4/h8H,4-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid has a molecular weight of 258.30 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid is sourced from PubChem (CID 87301927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).