4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid

C9H14FNO3 — CID 129493794

IUPAC4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C9H14FNO3/c10-7-2-1-5-11(6-7)8(12)3-4-9(13)14/h7H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyPBAUPJMQOSIMQB-SSDOTTSWSA-N
MW203.21 g/mol
LogP0.81
Rot. Bonds3

About 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid

4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid (PubChem CID 129493794) has the molecular formula C9H14FNO3 and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid
PubChem CID129493794
Molecular FormulaC9H14FNO3
Molecular Weight203.21 g/mol
Exact Mass203.10
IUPAC Name4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C9H14FNO3/c10-7-2-1-5-11(6-7)8(12)3-4-9(13)14/h7H,1-6H2,(H,13,14)/t7-/m1/s1
InChIKeyPBAUPJMQOSIMQB-SSDOTTSWSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Oxopiperidin-1-Yl)Butanoic Acid
CID 12842029
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 129365559
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
1-(3,3,3-Trifluoropropanoyl)piperidine-4-carboxylic acid
CID 16772983
1-(2-Fluoroacetyl)piperidine-4-carboxylic acid
CID 58282584
4-Fluoropiperidine-1,4-dicarboxylic acid
CID 90919667
4-Fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid
CID 118217438
1-Acetyl-4-fluoropiperidine-4-carboxylic acid
CID 118218319
4-(5,5-Difluoro-2-oxopiperidin-1-yl)butanoic acid
CID 150636373

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid (CID 129493794) is 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC[C@@H](F)C1.
What is the InChIKey of 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is PBAUPJMQOSIMQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14FNO3/c10-7-2-1-5-11(6-7)8(12)3-4-9(13)14/h7H,1-6H2,(H,13,14)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid?
4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 203.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-fluoropiperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129493794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).