2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid

C17H21FO2 — CID 79558031

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)CC1CC2CCC1C2
InChIInChI=1S/C17H21FO2/c18-16-3-1-2-11(9-16)8-15(17(19)20)10-14-7-12-4-5-13(14)6-12/h1-3,9,12-15H,4-8,10H2,(H,19,20)
InChIKeyKZEDUYAHEDKFCJ-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid

2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid (PubChem CID 79558031) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
PubChem CID79558031
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)CC1CC2CCC1C2
InChIInChI=1S/C17H21FO2/c18-16-3-1-2-11(9-16)8-15(17(19)20)10-14-7-12-4-5-13(14)6-12/h1-3,9,12-15H,4-8,10H2,(H,19,20)
InChIKeyKZEDUYAHEDKFCJ-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422053
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
2-[1-bromo-3-(3-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane
CID 114246964
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
CID 79558834
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-[(3-fluorophenyl)methyl]hex-5-ynoic acid
CID 79418723
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
CID 55223192
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid (CID 79558031) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid is O=C(O)C(Cc1cccc(F)c1)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid?
The InChIKey is KZEDUYAHEDKFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-16-3-1-2-11(9-16)8-15(17(19)20)10-14-7-12-4-5-13(14)6-12/h1-3,9,12-15H,4-8,10H2,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid?
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid has a molecular weight of 276.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 79558031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).