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

C15H18FNO3 — CID 99639784

IUPAC(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-10(11-6-2-3-7-12(11)16)14(18)17-9-5-4-8-13(17)15(19)20/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyFIQAVBMGMPYKAE-GXFFZTMASA-N
MW279.31 g/mol
LogP2.39
Rot. Bonds3

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

(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 99639784) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
PubChem CID99639784
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c1-10(11-6-2-3-7-12(11)16)14(18)17-9-5-4-8-13(17)15(19)20/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20)/t10-,13+/m0/s1
InChIKeyFIQAVBMGMPYKAE-GXFFZTMASA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914
3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124689702
3-[(2R)-1-[(2R)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124690812
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 119176277
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 124692471
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
(2S)-1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 66262701
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
CID 103513364
1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid (CID 99639784) is (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid is C[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)c1ccccc1F.
What is the InChIKey of (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is FIQAVBMGMPYKAE-GXFFZTMASA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(11-6-2-3-7-12(11)16)14(18)17-9-5-4-8-13(17)15(19)20/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,19,20)/t10-,13+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 99639784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).