4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid

C6H8O3 — CID 171036181

IUPAC4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
SMILESO=C(O)C1C2CC1C2O
InChIInChI=1S/C6H8O3/c7-5-2-1-3(5)4(2)6(8)9/h2-5,7H,1H2,(H,8,9)
InChIKeyHSPIIRBNCAWDRH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.30
Rot. Bonds1

About 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid

4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid (PubChem CID 171036181) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
PubChem CID171036181
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
SMILESO=C(O)C1C2CC1C2O
InChIInChI=1S/C6H8O3/c7-5-2-1-3(5)4(2)6(8)9/h2-5,7H,1H2,(H,8,9)
InChIKeyHSPIIRBNCAWDRH-UHFFFAOYSA-N
XLogP-0.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid?
The IUPAC name of 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid (CID 171036181) is 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid.
What is the SMILES notation for 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid?
The canonical SMILES for 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid is O=C(O)C1C2CC1C2O.
What is the InChIKey of 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid?
The InChIKey is HSPIIRBNCAWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-2-1-3(5)4(2)6(8)9/h2-5,7H,1H2,(H,8,9).
What are the key properties of 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid?
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid is sourced from PubChem (CID 171036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).