2-aminobutan-2-ol;azane;sulfuric acid

C4H19N3O5S — CID 174805988

IUPAC2-aminobutan-2-ol;azane;sulfuric acid
SMILESCCC(C)(N)O.N.N.O=S(=O)(O)O
InChIInChI=1S/C4H11NO.2H3N.H2O4S/c1-3-4(2,5)6;;;1-5(2,3)4/h6H,3,5H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyCXDFKMWDGJMOKR-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.27
Rot. Bonds1

About 2-aminobutan-2-ol;azane;sulfuric acid

2-aminobutan-2-ol;azane;sulfuric acid (PubChem CID 174805988) has the molecular formula C4H19N3O5S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-aminobutan-2-ol;azane;sulfuric acid.

Molecular Properties

Compound Name2-aminobutan-2-ol;azane;sulfuric acid
PubChem CID174805988
Molecular FormulaC4H19N3O5S
Molecular Weight221.28 g/mol
Exact Mass221.10
IUPAC Name2-aminobutan-2-ol;azane;sulfuric acid
SMILESCCC(C)(N)O.N.N.O=S(=O)(O)O
InChIInChI=1S/C4H11NO.2H3N.H2O4S/c1-3-4(2,5)6;;;1-5(2,3)4/h6H,3,5H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyCXDFKMWDGJMOKR-UHFFFAOYSA-N
XLogP-0.27
TPSA190.85 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
2-aminobutan-2-ol;propane
CID 174346487
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
azane;ethanamine;sulfuric acid
CID 173214245
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
2-methylpentan-2-amine;sulfuric acid
CID 174200327
1,1-diaminopropane-1-sulfonic acid
CID 87299428
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
1-amino-2-methylbutan-2-ol;methanesulfonic acid
CID 20512871
ethanol;methanamine;sulfuric acid
CID 174912363
2-aminopropane-2-sulfonic acid
CID 18332427

Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-ol;azane;sulfuric acid?
The IUPAC name of 2-aminobutan-2-ol;azane;sulfuric acid (CID 174805988) is 2-aminobutan-2-ol;azane;sulfuric acid.
What is the SMILES notation for 2-aminobutan-2-ol;azane;sulfuric acid?
The canonical SMILES for 2-aminobutan-2-ol;azane;sulfuric acid is CCC(C)(N)O.N.N.O=S(=O)(O)O.
What is the InChIKey of 2-aminobutan-2-ol;azane;sulfuric acid?
The InChIKey is CXDFKMWDGJMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.2H3N.H2O4S/c1-3-4(2,5)6;;;1-5(2,3)4/h6H,3,5H2,1-2H3;2*1H3;(H2,1,2,3,4).
What are the key properties of 2-aminobutan-2-ol;azane;sulfuric acid?
2-aminobutan-2-ol;azane;sulfuric acid has a molecular weight of 221.28 g/mol, XLogP of -0.27, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-ol;azane;sulfuric acid is sourced from PubChem (CID 174805988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).