2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid

C15H19FO2 — CID 61343576

IUPAC2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)CC1CCCC1
InChIInChI=1S/C15H19FO2/c16-14-7-3-6-12(10-14)9-13(15(17)18)8-11-4-1-2-5-11/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyBMOBMHQBFZBBNT-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.65
Rot. Bonds5

About 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid

2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid (PubChem CID 61343576) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
PubChem CID61343576
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)CC1CCCC1
InChIInChI=1S/C15H19FO2/c16-14-7-3-6-12(10-14)9-13(15(17)18)8-11-4-1-2-5-11/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyBMOBMHQBFZBBNT-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclobutylmethyl)-3-(4-fluorophenyl)propanoic acid
CID 79418626
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63543352
2-(2-ethylcyclohexyl)-3-(3-fluorophenyl)propanoic acid
CID 79418399
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422053
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-[(3-fluorophenyl)methyl]hex-5-ynoic acid
CID 79418723
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid (CID 61343576) is 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid is O=C(O)C(Cc1cccc(F)c1)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid?
The InChIKey is BMOBMHQBFZBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-14-7-3-6-12(10-14)9-13(15(17)18)8-11-4-1-2-5-11/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,17,18).
What are the key properties of 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid?
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid has a molecular weight of 250.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 61343576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).