(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid

C16H20FNO3 — CID 124692471

IUPAC(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-11(8-9-12-5-2-3-6-13(12)17)15(19)18-10-4-7-14(18)16(20)21/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyREFVWXLJCSCOTK-BXUZGUMPSA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds5

About (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 124692471) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
PubChem CID124692471
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-11(8-9-12-5-2-3-6-13(12)17)15(19)18-10-4-7-14(18)16(20)21/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,20,21)/t11-,14-/m1/s1
InChIKeyREFVWXLJCSCOTK-BXUZGUMPSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124692467
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 67395242
1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 171156710
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124687905
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784
1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 58641902

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid (CID 124692471) is (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid is C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is REFVWXLJCSCOTK-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(8-9-12-5-2-3-6-13(12)17)15(19)18-10-4-7-14(18)16(20)21/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,20,21)/t11-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124692471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).