2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid

C12H22O3 — CID 23202697

IUPAC2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
SMILESCOCC(C(=O)O)(C(C)C)C1CCCC1
InChIInChI=1S/C12H22O3/c1-9(2)12(8-15-3,11(13)14)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyJHZIPVFGAQHHJF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.55
Rot. Bonds5

About 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid

2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid (PubChem CID 23202697) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
PubChem CID23202697
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
SMILESCOCC(C(=O)O)(C(C)C)C1CCCC1
InChIInChI=1S/C12H22O3/c1-9(2)12(8-15-3,11(13)14)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyJHZIPVFGAQHHJF-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate
CID 23297171
2-(aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433
2-cyclopentyl-2-(1-methoxypropyl)-5-methylhexanoic acid
CID 67678236
2-cyclopentyl-3-methoxy-2-propan-2-ylpentanoic acid
CID 67677892
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2-cyclopentyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139927528
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopropyl-2,3-dimethoxypropanoic acid
CID 116769537
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid?
The IUPAC name of 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid (CID 23202697) is 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid?
The canonical SMILES for 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid is COCC(C(=O)O)(C(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid?
The InChIKey is JHZIPVFGAQHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)12(8-15-3,11(13)14)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid?
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid is sourced from PubChem (CID 23202697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).