3-amino-5-fluoropiperidine-1-carboxylic acid

C6H11FN2O2 — CID 67971756

IUPAC3-amino-5-fluoropiperidine-1-carboxylic acid
SMILESNC1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C6H11FN2O2/c7-4-1-5(8)3-9(2-4)6(10)11/h4-5H,1-3,8H2,(H,10,11)
InChIKeyAITIMDQNUNANNQ-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.04
Rot. Bonds

About 3-amino-5-fluoropiperidine-1-carboxylic acid

3-amino-5-fluoropiperidine-1-carboxylic acid (PubChem CID 67971756) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 3-amino-5-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-fluoropiperidine-1-carboxylic acid
PubChem CID67971756
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name3-amino-5-fluoropiperidine-1-carboxylic acid
SMILESNC1CC(F)CN(C(=O)O)C1
InChIInChI=1S/C6H11FN2O2/c7-4-1-5(8)3-9(2-4)6(10)11/h4-5H,1-3,8H2,(H,10,11)
InChIKeyAITIMDQNUNANNQ-UHFFFAOYSA-N
XLogP0.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-amino-5-fluoropiperidine-1-carboxylic acid (CID 67971756) is 3-amino-5-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-5-fluoropiperidine-1-carboxylic acid is NC1CC(F)CN(C(=O)O)C1.
What is the InChIKey of 3-amino-5-fluoropiperidine-1-carboxylic acid?
The InChIKey is AITIMDQNUNANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-1-5(8)3-9(2-4)6(10)11/h4-5H,1-3,8H2,(H,10,11).
What are the key properties of 3-amino-5-fluoropiperidine-1-carboxylic acid?
3-amino-5-fluoropiperidine-1-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 67971756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).