1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid

C14H18FNO2 — CID 114834766

IUPAC1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(Cc1cccc(F)c1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18FNO2/c1-10(7-11-3-2-4-13(15)8-11)16-6-5-12(9-16)14(17)18/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,18)
InChIKeyGZXFOIBETQDEDK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds4

About 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid

1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 114834766) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID114834766
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(Cc1cccc(F)c1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18FNO2/c1-10(7-11-3-2-4-13(15)8-11)16-6-5-12(9-16)14(17)18/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,18)
InChIKeyGZXFOIBETQDEDK-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
CID 84751556
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904283
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid (CID 114834766) is 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid is CC(Cc1cccc(F)c1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is GZXFOIBETQDEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(7-11-3-2-4-13(15)8-11)16-6-5-12(9-16)14(17)18/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,18).
What are the key properties of 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid?
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114834766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).