(3S,5R)-5-fluoropiperidine-3-carboxylic acid

C6H10FNO2 — CID 45090389

IUPAC(3S,5R)-5-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H](F)C1
InChIInChI=1S/C6H10FNO2/c7-5-1-4(6(9)10)2-8-3-5/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyABCIBAVERQIFAT-CRCLSJGQSA-N
MW147.15 g/mol
LogP0.02
Rot. Bonds1

About (3S,5R)-5-fluoropiperidine-3-carboxylic acid

(3S,5R)-5-fluoropiperidine-3-carboxylic acid (PubChem CID 45090389) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (3S,5R)-5-fluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-fluoropiperidine-3-carboxylic acid
PubChem CID45090389
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(3S,5R)-5-fluoropiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H](F)C1
InChIInChI=1S/C6H10FNO2/c7-5-1-4(6(9)10)2-8-3-5/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyABCIBAVERQIFAT-CRCLSJGQSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-fluoropiperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-fluoropiperidine-3-carboxylic acid (CID 45090389) is (3S,5R)-5-fluoropiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-fluoropiperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-fluoropiperidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@H](F)C1.
What is the InChIKey of (3S,5R)-5-fluoropiperidine-3-carboxylic acid?
The InChIKey is ABCIBAVERQIFAT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-5-1-4(6(9)10)2-8-3-5/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of (3S,5R)-5-fluoropiperidine-3-carboxylic acid?
(3S,5R)-5-fluoropiperidine-3-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-fluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 45090389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).