azane;prop-2-enoic acid;sulfooxy hydrogen sulfate

C3H12N2O10S2 — CID 175090513

IUPACazane;prop-2-enoic acid;sulfooxy hydrogen sulfate
SMILESC=CC(=O)O.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/C3H4O2.2H3N.H2O8S2/c1-2-3(4)5;;;1-9(2,3)7-8-10(4,5)6/h2H,1H2,(H,4,5);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyMQMQDUWUPXGYGD-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.88
Rot. Bonds4

About azane;prop-2-enoic acid;sulfooxy hydrogen sulfate

azane;prop-2-enoic acid;sulfooxy hydrogen sulfate (PubChem CID 175090513) has the molecular formula C3H12N2O10S2 and a molecular weight of 300.27 g/mol. Its IUPAC name is azane;prop-2-enoic acid;sulfooxy hydrogen sulfate.

Molecular Properties

Compound Nameazane;prop-2-enoic acid;sulfooxy hydrogen sulfate
PubChem CID175090513
Molecular FormulaC3H12N2O10S2
Molecular Weight300.27 g/mol
Exact Mass299.99
IUPAC Nameazane;prop-2-enoic acid;sulfooxy hydrogen sulfate
SMILESC=CC(=O)O.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/C3H4O2.2H3N.H2O8S2/c1-2-3(4)5;;;1-9(2,3)7-8-10(4,5)6/h2H,1H2,(H,4,5);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyMQMQDUWUPXGYGD-UHFFFAOYSA-N
XLogP-0.88
TPSA234.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azane;prop-2-enoic acid;sulfooxy hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
azane;prop-2-enoic acid
CID 173158019
ethenol;prop-2-enoic acid;sulfuric acid
CID 87814043
methanesulfonic acid;prop-2-enoic acid
CID 87706639
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
sulfooxy hydrogen sulfate
CID 24413
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
CID 174828535
azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442
disilver;bis(prop-2-enoic acid);bromide;chloride
CID 173437465
Acrylic acid potassium salt
CID 87124626
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054

Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enoic acid;sulfooxy hydrogen sulfate?
The IUPAC name of azane;prop-2-enoic acid;sulfooxy hydrogen sulfate (CID 175090513) is azane;prop-2-enoic acid;sulfooxy hydrogen sulfate.
What is the SMILES notation for azane;prop-2-enoic acid;sulfooxy hydrogen sulfate?
The canonical SMILES for azane;prop-2-enoic acid;sulfooxy hydrogen sulfate is C=CC(=O)O.N.N.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of azane;prop-2-enoic acid;sulfooxy hydrogen sulfate?
The InChIKey is MQMQDUWUPXGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.2H3N.H2O8S2/c1-2-3(4)5;;;1-9(2,3)7-8-10(4,5)6/h2H,1H2,(H,4,5);2*1H3;(H,1,2,3)(H,4,5,6).
What are the key properties of azane;prop-2-enoic acid;sulfooxy hydrogen sulfate?
azane;prop-2-enoic acid;sulfooxy hydrogen sulfate has a molecular weight of 300.27 g/mol, XLogP of -0.88, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enoic acid;sulfooxy hydrogen sulfate is sourced from PubChem (CID 175090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).