2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid

C8H14O3 — CID 12651947

IUPAC2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid
SMILESCC1(C)C(O)CC1CC(=O)O
InChIInChI=1S/C8H14O3/c1-8(2)5(3-6(8)9)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyXDFSYWTZDRKXKZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds2

About 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid

2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid (PubChem CID 12651947) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid
PubChem CID12651947
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid
SMILESCC1(C)C(O)CC1CC(=O)O
InChIInChI=1S/C8H14O3/c1-8(2)5(3-6(8)9)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyXDFSYWTZDRKXKZ-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid (CID 12651947) is 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid is CC1(C)C(O)CC1CC(=O)O.
What is the InChIKey of 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid?
The InChIKey is XDFSYWTZDRKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)5(3-6(8)9)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid?
2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,2-dimethylcyclobutyl)acetic acid is sourced from PubChem (CID 12651947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).