2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid

C9H18O3 — CID 43537979

IUPAC2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
SMILESCCC(C)(C)OCC(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-5-9(3,4)12-6-7(2)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyGFJPSCAATCJCRE-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds5

About 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid

2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid (PubChem CID 43537979) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
PubChem CID43537979
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
SMILESCCC(C)(C)OCC(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-5-9(3,4)12-6-7(2)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyGFJPSCAATCJCRE-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol
CID 87078256
4-[1-hydroxy-2-(2-methylbutan-2-yloxy)ethyl]benzoic acid
CID 58667279
N-[1-hydroxy-3-(2-methylbutan-2-yloxy)propan-2-yl]acetamide
CID 134215824
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
3-[bis(2-carboxypropoxy)arsanyloxy]-2-methylpropanoic acid
CID 139727059
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide
CID 139310605
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
ethane;2-methylbutanoic acid
CID 87621166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid (CID 43537979) is 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid is CCC(C)(C)OCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid?
The InChIKey is GFJPSCAATCJCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-9(3,4)12-6-7(2)8(10)11/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid?
2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid is sourced from PubChem (CID 43537979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).