2-methylpropanoic acid;sulfuric acid

C4H10O6S — CID 160710390

IUPAC2-methylpropanoic acid;sulfuric acid
SMILESCC(C)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C4H8O2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H,5,6);(H2,1,2,3,4)
InChIKeyRRTYRRHTTUSDCW-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.07
Rot. Bonds1

About 2-methylpropanoic acid;sulfuric acid

2-methylpropanoic acid;sulfuric acid (PubChem CID 160710390) has the molecular formula C4H10O6S and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-methylpropanoic acid;sulfuric acid.

Molecular Properties

Compound Name2-methylpropanoic acid;sulfuric acid
PubChem CID160710390
Molecular FormulaC4H10O6S
Molecular Weight186.18 g/mol
Exact Mass186.02
IUPAC Name2-methylpropanoic acid;sulfuric acid
SMILESCC(C)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C4H8O2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H,5,6);(H2,1,2,3,4)
InChIKeyRRTYRRHTTUSDCW-UHFFFAOYSA-N
XLogP0.07
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropanoic acid;sulfuric acid 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

lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
CID 161404788
CID 161404788
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
(2S)-2-aminopropanoic acid;sulfuric acid
CID 56932726
copper;2-hydroxypropanoic acid;sulfuric acid
CID 10220619
sulfuric acid;tetramethylphosphanium
CID 87132357
azane;propan-2-ol;sulfuric acid
CID 174667034

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;sulfuric acid?
The IUPAC name of 2-methylpropanoic acid;sulfuric acid (CID 160710390) is 2-methylpropanoic acid;sulfuric acid.
What is the SMILES notation for 2-methylpropanoic acid;sulfuric acid?
The canonical SMILES for 2-methylpropanoic acid;sulfuric acid is CC(C)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-methylpropanoic acid;sulfuric acid?
The InChIKey is RRTYRRHTTUSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H,5,6);(H2,1,2,3,4).
What are the key properties of 2-methylpropanoic acid;sulfuric acid?
2-methylpropanoic acid;sulfuric acid has a molecular weight of 186.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;sulfuric acid is sourced from PubChem (CID 160710390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).