2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid

C12H20O3 — CID 83148663

IUPAC2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
SMILESCC(CCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C12H20O3/c1-12(11(13)14,9-4-5-9)7-6-10-3-2-8-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyXXMJSKRGONQINI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid

2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid (PubChem CID 83148663) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
PubChem CID83148663
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
SMILESCC(CCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C12H20O3/c1-12(11(13)14,9-4-5-9)7-6-10-3-2-8-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyXXMJSKRGONQINI-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 106487285
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
2-methyl-2-[3-(oxolan-2-yl)propylsulfinyl]propanoic acid
CID 81227541
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
2,2-dimethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 65302675
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid (CID 83148663) is 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid is CC(CCC1CCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid?
The InChIKey is XXMJSKRGONQINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(11(13)14,9-4-5-9)7-6-10-3-2-8-15-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid?
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid is sourced from PubChem (CID 83148663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).