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

C16H20FNO3 — CID 99639914

IUPAC(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(12-6-2-3-7-13(12)17)10-15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyBAGHOLGTCZLHBD-RISCZKNCSA-N
MW293.34 g/mol
LogP2.79
Rot. Bonds4

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

(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid (PubChem CID 99639914) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
PubChem CID99639914
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(12-6-2-3-7-13(12)17)10-15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyBAGHOLGTCZLHBD-RISCZKNCSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid (CID 99639914) is (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid is C[C@H](CC(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1F.
What is the InChIKey of (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid?
The InChIKey is BAGHOLGTCZLHBD-RISCZKNCSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(12-6-2-3-7-13(12)17)10-15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1.
What are the key properties of (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid?
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 99639914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).