3-(1-bicyclo[2.2.1]heptanyl)propanoic acid

C10H16O2 — CID 70398631

IUPAC3-(1-bicyclo[2.2.1]heptanyl)propanoic acid
SMILESO=C(O)CCC12CCC(CC1)C2
InChIInChI=1S/C10H16O2/c11-9(12)3-6-10-4-1-8(7-10)2-5-10/h8H,1-7H2,(H,11,12)
InChIKeyKZODIXXPJRQJHV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.43
Rot. Bonds3

About 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid

3-(1-bicyclo[2.2.1]heptanyl)propanoic acid (PubChem CID 70398631) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid.

Molecular Properties

Compound Name3-(1-bicyclo[2.2.1]heptanyl)propanoic acid
PubChem CID70398631
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(1-bicyclo[2.2.1]heptanyl)propanoic acid
SMILESO=C(O)CCC12CCC(CC1)C2
InChIInChI=1S/C10H16O2/c11-9(12)3-6-10-4-1-8(7-10)2-5-10/h8H,1-7H2,(H,11,12)
InChIKeyKZODIXXPJRQJHV-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid?
The IUPAC name of 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid (CID 70398631) is 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid.
What is the SMILES notation for 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid?
The canonical SMILES for 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid is O=C(O)CCC12CCC(CC1)C2.
What is the InChIKey of 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid?
The InChIKey is KZODIXXPJRQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9(12)3-6-10-4-1-8(7-10)2-5-10/h8H,1-7H2,(H,11,12).
What are the key properties of 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid?
3-(1-bicyclo[2.2.1]heptanyl)propanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[2.2.1]heptanyl)propanoic acid is sourced from PubChem (CID 70398631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).