2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid

C12H22O3 — CID 136574824

IUPAC2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
SMILESCC1(C(CC1OC(C)(C)C)CC(=O)O)C
InChIInChI=1S/C12H22O3/c1-11(2,3)15-9-6-8(7-10(13)14)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyWEBFZAVQBZMIDG-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.20
Rot. Bonds4

About 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid

2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid (PubChem CID 136574824) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid
PubChem CID136574824
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
SMILESCC1(C(CC1OC(C)(C)C)CC(=O)O)C
InChIInChI=1S/C12H22O3/c1-11(2,3)15-9-6-8(7-10(13)14)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyWEBFZAVQBZMIDG-UHFFFAOYSA-N
XLogP2.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity250

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Ethyloxan-4-yl)acetic acid
CID 22235158
4-Methoxy-1-methylcyclohexane-1-carboxylic acid
CID 59419718
Cyclobutaneacetic acid, 3-(1,1-dimethylethoxy)-
CID 86775226
2-(3-Hydroxy-2,2-dimethylcyclobutyl)acetic acid
CID 12651947
2-[2-(Propan-2-yl)oxan-4-yl]acetic acid
CID 64099713
5,5-Dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CID 64137839
5-Methyl-6-oxaspiro(2.5)octane-1-carboxylic acid
CID 64138036
4-(Cyclobutylmethoxy)cyclohexane-1-carboxylic acid
CID 91636367
5-Ethoxyspiro[2.3]hexane-1-carboxylic acid
CID 106823962
Methyl 5-hydroxyspiro[2.3]hexane-1-carboxylate
CID 131438670
2-(3-Methoxy-2,2-dimethylcyclobutyl)acetic acid
CID 137935575
2-[3-(Tert-butoxy)spiro[3.3]heptan-1-yl]acetic acid
CID 137964421

Frequently Asked Questions

What is the IUPAC name of 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid?
The IUPAC name of 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid (CID 136574824) is 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid.
What is the SMILES notation for 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid?
The canonical SMILES for 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid is CC1(C(CC1OC(C)(C)C)CC(=O)O)C.
What is the InChIKey of 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid?
The InChIKey is WEBFZAVQBZMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,3)15-9-6-8(7-10(13)14)12(9,4)5/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid?
2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid has a molecular weight of 214.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-(Tert-butoxy)-2,2-dimethylcyclobutyl)acetic acid is sourced from PubChem (CID 136574824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).