2,2-dimethylpropanoic acid;lanthanum

C5H10LaO2 — CID 160817860

IUPAC2,2-dimethylpropanoic acid;lanthanum
SMILESCC(C)(C)C(=O)O.[La]
InChIInChI=1S/C5H10O2.La/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);
InChIKeySFDJGNZFQUCJOG-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.12
Rot. Bonds

About 2,2-dimethylpropanoic acid;lanthanum

2,2-dimethylpropanoic acid;lanthanum (PubChem CID 160817860) has the molecular formula C5H10LaO2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;lanthanum.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;lanthanum
PubChem CID160817860
Molecular FormulaC5H10LaO2
Molecular Weight241.04 g/mol
Exact Mass240.97
IUPAC Name2,2-dimethylpropanoic acid;lanthanum
SMILESCC(C)(C)C(=O)O.[La]
InChIInChI=1S/C5H10O2.La/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);
InChIKeySFDJGNZFQUCJOG-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethylpropanoic acid;lanthanum 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

2,2-dimethylpropanoic acid
CID 87781698
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
CID 159044795
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
CID 175317557
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-bromo-2-methylpropanoic acid
CID 159388254
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2,2-dimethylpropanedioic acid;silver
CID 174269885

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;lanthanum?
The IUPAC name of 2,2-dimethylpropanoic acid;lanthanum (CID 160817860) is 2,2-dimethylpropanoic acid;lanthanum.
What is the SMILES notation for 2,2-dimethylpropanoic acid;lanthanum?
The canonical SMILES for 2,2-dimethylpropanoic acid;lanthanum is CC(C)(C)C(=O)O.[La].
What is the InChIKey of 2,2-dimethylpropanoic acid;lanthanum?
The InChIKey is SFDJGNZFQUCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.La/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);.
What are the key properties of 2,2-dimethylpropanoic acid;lanthanum?
2,2-dimethylpropanoic acid;lanthanum has a molecular weight of 241.04 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;lanthanum is sourced from PubChem (CID 160817860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).