1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid

C14H16FNO4 — CID 63031287

IUPAC1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCOc2ccccc2F)C1
InChIInChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-8-6-13(17)16-7-5-10(9-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyMNYSWJABXCVWCR-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.53
Rot. Bonds5

About 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid

1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031287) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031287
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCOc2ccccc2F)C1
InChIInChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-8-6-13(17)16-7-5-10(9-16)14(18)19/h1-4,10H,5-9H2,(H,18,19)
InChIKeyMNYSWJABXCVWCR-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119636094
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid (CID 63031287) is 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CCOc2ccccc2F)C1.
What is the InChIKey of 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MNYSWJABXCVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-3-1-2-4-12(11)20-8-6-13(17)16-7-5-10(9-16)14(18)19/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid?
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).