prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid

C8H18N2O6S — CID 87301528

IUPACprop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
SMILESC=CCOC(=O)CCNN(C)C.O=S(=O)(O)O
InChIInChI=1S/C8H16N2O2.H2O4S/c1-4-7-12-8(11)5-6-9-10(2)3;1-5(2,3)4/h4,9H,1,5-7H2,2-3H3;(H2,1,2,3,4)
InChIKeyBAYHMBDYCNEMQQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.48
Rot. Bonds6

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

prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid (PubChem CID 87301528) has the molecular formula C8H18N2O6S and a molecular weight of 270.31 g/mol. Its IUPAC name is prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid.

Molecular Properties

Compound Nameprop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
PubChem CID87301528
Molecular FormulaC8H18N2O6S
Molecular Weight270.31 g/mol
Exact Mass270.09
IUPAC Nameprop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
SMILESC=CCOC(=O)CCNN(C)C.O=S(=O)(O)O
InChIInChI=1S/C8H16N2O2.H2O4S/c1-4-7-12-8(11)5-6-9-10(2)3;1-5(2,3)4/h4,9H,1,5-7H2,2-3H3;(H2,1,2,3,4)
InChIKeyBAYHMBDYCNEMQQ-UHFFFAOYSA-N
XLogP-0.48
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid
CID 87301927
prop-2-enyl 3-[2-[2-[bis(3-oxo-3-prop-2-enoxypropyl)amino]ethyl-methylamino]ethyl-(3-oxo-3-prop-2-enoxypropyl)amino]propanoate
CID 176769454
prop-2-enyl 6-formamidohexanoate
CID 12006461
sodium 3-[(3-oxo-3-prop-2-enoxypropyl)amino]propanoate
CID 118390139
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
prop-2-enyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 78838677
sodium;hydride;4-oxo-4-prop-2-enoxybutanoic acid;prop-2-ene-1-sulfonic acid
CID 175217911
prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
CID 23330193
prop-2-enyl 4-hydroxybutanoate
CID 11367059
prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The IUPAC name of prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid (CID 87301528) is prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid.
What is the SMILES notation for prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The canonical SMILES for prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid is C=CCOC(=O)CCNN(C)C.O=S(=O)(O)O.
What is the InChIKey of prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
The InChIKey is BAYHMBDYCNEMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.H2O4S/c1-4-7-12-8(11)5-6-9-10(2)3;1-5(2,3)4/h4,9H,1,5-7H2,2-3H3;(H2,1,2,3,4).
What are the key properties of prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid?
prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid has a molecular weight of 270.31 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(2,2-dimethylhydrazinyl)propanoate;sulfuric acid is sourced from PubChem (CID 87301528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).