(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid

C15H18FNO3 — CID 124688312

IUPAC(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-10(11-4-2-5-12(16)9-11)8-14(18)17-7-3-6-13(17)15(19)20/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyDYIBUEAWEPFXBH-GXFFZTMASA-N
MW279.31 g/mol
LogP2.39
Rot. Bonds4

About (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 124688312) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID124688312
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-10(11-4-2-5-12(16)9-11)8-14(18)17-7-3-6-13(17)15(19)20/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyDYIBUEAWEPFXBH-GXFFZTMASA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)butan-1-one
CID 119632279
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913
(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
CID 125149822
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385869
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914
(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid
CID 129466486
(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid (CID 124688312) is (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid is C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cccc(F)c1.
What is the InChIKey of (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DYIBUEAWEPFXBH-GXFFZTMASA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(11-4-2-5-12(16)9-11)8-14(18)17-7-3-6-13(17)15(19)20/h2,4-5,9-10,13H,3,6-8H2,1H3,(H,19,20)/t10-,13+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124688312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).