2-cyclobutyl-2-(3-methoxyphenyl)acetic acid

C13H16O3 — CID 82024093

IUPAC2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)C2CCC2)c1
InChIInChI=1S/C13H16O3/c1-16-11-7-3-6-10(8-11)12(13(14)15)9-4-2-5-9/h3,6-9,12H,2,4-5H2,1H3,(H,14,15)
InChIKeyZLGKSQIFUCNMJD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds4

About 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid

2-cyclobutyl-2-(3-methoxyphenyl)acetic acid (PubChem CID 82024093) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
PubChem CID82024093
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)C2CCC2)c1
InChIInChI=1S/C13H16O3/c1-16-11-7-3-6-10(8-11)12(13(14)15)9-4-2-5-9/h3,6-9,12H,2,4-5H2,1H3,(H,14,15)
InChIKeyZLGKSQIFUCNMJD-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid (CID 82024093) is 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(C(=O)O)C2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid?
The InChIKey is ZLGKSQIFUCNMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-11-7-3-6-10(8-11)12(13(14)15)9-4-2-5-9/h3,6-9,12H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid?
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 82024093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).