2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid

C11H20O4 — CID 106824703

IUPAC2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid
SMILESCCOC1CC(C(O)(C(=O)O)C(C)C)C1
InChIInChI=1S/C11H20O4/c1-4-15-9-5-8(6-9)11(14,7(2)3)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyJAFNACFEDXFBEB-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.27
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid

2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid (PubChem CID 106824703) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid
PubChem CID106824703
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid
SMILESCCOC1CC(C(O)(C(=O)O)C(C)C)C1
InChIInChI=1S/C11H20O4/c1-4-15-9-5-8(6-9)11(14,7(2)3)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyJAFNACFEDXFBEB-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
CID 174626759
N-(3-ethoxycyclobutyl)propane-2-sulfonamide
CID 102609488
1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
CID 103168138
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
1-cyclohexyl-2-(3-ethoxycyclobutyl)ethanone
CID 103167714
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
CID 103162128
(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
CID 107831676
2-(3-ethoxycyclobutyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 103164701
2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
CID 102671061

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid?
The IUPAC name of 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid (CID 106824703) is 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid is CCOC1CC(C(O)(C(=O)O)C(C)C)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid?
The InChIKey is JAFNACFEDXFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-15-9-5-8(6-9)11(14,7(2)3)10(12)13/h7-9,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid?
2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-2-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 106824703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).