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

C9H18O4 — CID 103224006

IUPAC3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
SMILESCCC(C)(C)OC(COC)C(=O)O
InChIInChI=1S/C9H18O4/c1-5-9(2,3)13-7(6-12-4)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyCAGHNAILNZNTRM-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds6

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

3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid (PubChem CID 103224006) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
PubChem CID103224006
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
SMILESCCC(C)(C)OC(COC)C(=O)O
InChIInChI=1S/C9H18O4/c1-5-9(2,3)13-7(6-12-4)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyCAGHNAILNZNTRM-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-aminooxy-3-methoxypropanoic acid
CID 124680851
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
2-methyl-3-(2-methylbutan-2-yloxy)propanoic acid
CID 43537979
2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
CID 79426238
1-methoxy-N-methyl-3-(2-methylbutan-2-yloxy)propan-2-amine
CID 107506722
3-ethyl-2-(methoxymethyl)pentanoic acid
CID 90976755
2-(2-methylbutan-2-ylperoxy)hexanoic acid
CID 22590317
2-(2-methylbutan-2-ylperoxy)heptanoic acid
CID 87434015
2-(1-amino-2-methylbutan-2-yl)oxybutanoic acid
CID 65053739
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid (CID 103224006) is 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid is CCC(C)(C)OC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid?
The InChIKey is CAGHNAILNZNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-9(2,3)13-7(6-12-4)8(10)11/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid?
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid is sourced from PubChem (CID 103224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).