3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid

C17H23FN2O3 — CID 53215791

IUPAC3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
SMILESCC1CCN(CC(=O)NC(Cc2cccc(F)c2)C(=O)O)CC1
InChIInChI=1S/C17H23FN2O3/c1-12-5-7-20(8-6-12)11-16(21)19-15(17(22)23)10-13-3-2-4-14(18)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyYKHBAYKFTLUAHV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.67
Rot. Bonds6

About 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid

3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 53215791) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
PubChem CID53215791
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
SMILESCC1CCN(CC(=O)NC(Cc2cccc(F)c2)C(=O)O)CC1
InChIInChI=1S/C17H23FN2O3/c1-12-5-7-20(8-6-12)11-16(21)19-15(17(22)23)10-13-3-2-4-14(18)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyYKHBAYKFTLUAHV-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 53215775
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid (CID 53215791) is 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid is CC1CCN(CC(=O)NC(Cc2cccc(F)c2)C(=O)O)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is YKHBAYKFTLUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12-5-7-20(8-6-12)11-16(21)19-15(17(22)23)10-13-3-2-4-14(18)9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid?
3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 322.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 53215791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).