2-(1-bicyclo[1.1.1]pentanyl)acetic acid

C7H10O2 — CID 14906657

IUPAC2-(1-bicyclo[1.1.1]pentanyl)acetic acid
SMILESO=C(O)CC12CC(C1)C2
InChIInChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKeyZXUMFNBFVORNQL-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-bicyclo[1.1.1]pentanyl)acetic acid

2-(1-bicyclo[1.1.1]pentanyl)acetic acid (PubChem CID 14906657) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)acetic acid.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)acetic acid
PubChem CID14906657
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)acetic acid
SMILESO=C(O)CC12CC(C1)C2
InChIInChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKeyZXUMFNBFVORNQL-UHFFFAOYSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-bicyclo[1.1.1]pentanyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)acetic acid?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)acetic acid (CID 14906657) is 2-(1-bicyclo[1.1.1]pentanyl)acetic acid.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)acetic acid?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)acetic acid is O=C(O)CC12CC(C1)C2.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)acetic acid?
The InChIKey is ZXUMFNBFVORNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9).
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)acetic acid?
2-(1-bicyclo[1.1.1]pentanyl)acetic acid has a molecular weight of 126.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)acetic acid is sourced from PubChem (CID 14906657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).