3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid

C17H22FNO3 — CID 124689702

IUPAC3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
SMILESC[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-12(14-7-2-3-8-15(14)18)17(22)19-11-5-4-6-13(19)9-10-16(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyMHPAFERZBDXATF-QWHCGFSZSA-N
MW307.36 g/mol
LogP3.18
Rot. Bonds5

About 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid (PubChem CID 124689702) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
PubChem CID124689702
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
SMILESC[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1F
InChIInChI=1S/C17H22FNO3/c1-12(14-7-2-3-8-15(14)18)17(22)19-11-5-4-6-13(19)9-10-16(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyMHPAFERZBDXATF-QWHCGFSZSA-N
XLogP3.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-[(2R)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid
CID 124690812
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
3-[1-[2-(2-methylpyrazol-3-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 122111368
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
CID 124701352
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
3-[(2R)-1-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]piperidin-2-yl]propanoic acid
CID 124701197
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid (CID 124689702) is 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid is C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccccc1F.
What is the InChIKey of 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is MHPAFERZBDXATF-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(14-7-2-3-8-15(14)18)17(22)19-11-5-4-6-13(19)9-10-16(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,20,21)/t12-,13+/m0/s1.
What are the key properties of 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 307.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124689702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).