1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C17H24FNO2 — CID 106984631

IUPAC1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCC(c1cccc(F)c1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C17H24FNO2/c1-4-15(13-6-5-7-14(18)10-13)19-9-8-17(11-19,12(2)3)16(20)21/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNJAOLWMCBNMLER-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.71
Rot. Bonds5

About 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984631) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984631
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCC(c1cccc(F)c1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C17H24FNO2/c1-4-15(13-6-5-7-14(18)10-13)19-9-8-17(11-19,12(2)3)16(20)21/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,20,21)
InChIKeyNJAOLWMCBNMLER-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
1-(1-phenylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984643
3-[1-[1-(3-fluorophenyl)propyl]piperidin-4-yl]propanoic acid
CID 114873048
1-[1-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060567
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958196
2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080388
1-(1-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984147
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
3-fluoro-1-[2-(3-fluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119259491
1-(azetidin-3-yl)-4-[1-(3-fluorophenyl)propyl]piperazine
CID 114872144
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984631) is 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCC(c1cccc(F)c1)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NJAOLWMCBNMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-15(13-6-5-7-14(18)10-13)19-9-8-17(11-19,12(2)3)16(20)21/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).