3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid

C10H14O3 — CID 22620605

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)C1CC2C=CC1C2
InChIInChI=1S/C10H14O3/c11-9(5-10(12)13)8-4-6-1-2-7(8)3-6/h1-2,6-9,11H,3-5H2,(H,12,13)
InChIKeyYMPABRCXIUBTJZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid

3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid (PubChem CID 22620605) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid
PubChem CID22620605
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)C1CC2C=CC1C2
InChIInChI=1S/C10H14O3/c11-9(5-10(12)13)8-4-6-1-2-7(8)3-6/h1-2,6-9,11H,3-5H2,(H,12,13)
InChIKeyYMPABRCXIUBTJZ-UHFFFAOYSA-N
XLogP1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid (CID 22620605) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid is O=C(O)CC(O)C1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid?
The InChIKey is YMPABRCXIUBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-9(5-10(12)13)8-4-6-1-2-7(8)3-6/h1-2,6-9,11H,3-5H2,(H,12,13).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid?
3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 22620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).