3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid

C13H22FNO4 — CID 118798411

IUPAC3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CCC(=O)O)C1
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-4-6-13(14,9-15)7-5-10(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyXZOXFQJXIZJFTF-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.59
Rot. Bonds3

About 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid

3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid (PubChem CID 118798411) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
PubChem CID118798411
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(F)(CCC(=O)O)C1
InChIInChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-4-6-13(14,9-15)7-5-10(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyXZOXFQJXIZJFTF-UHFFFAOYSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
3-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}butanoic acid
CID 71691535
3-((3S)-1-((tert-butoxy)carbonyl)piperidin-3-yl)propanoic acid
CID 1502091
3-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]propanoic acid
CID 1502092
1-Boc-piperidin-3-yl-propionic acid
CID 2756824
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873
2-[1-(Tert-butoxycarbonyl)piperidin-4-yl]propanoic acid
CID 17781891
rac-(1R,2S)-2-(1-(tert-butoxycarbonyl)piperidin-4-yl)cyclopropanecarboxylic acid
CID 18738149
3-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoicacid
CID 21180615
1-[(Tert-butoxy)carbonyl]-3-fluoropiperidine-3-carboxylic acid
CID 49761215

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid (CID 118798411) is 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid is CC(C)(C)OC(=O)N1CCCC(F)(CCC(=O)O)C1.
What is the InChIKey of 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is XZOXFQJXIZJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-12(2,3)19-11(18)15-8-4-6-13(14,9-15)7-5-10(16)17/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid?
3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 275.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 118798411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).