4-amino-5-fluoropiperidine-3-carboxylic acid

C6H11FN2O2 — CID 122454033

IUPAC4-amino-5-fluoropiperidine-3-carboxylic acid
SMILESNC1C(F)CNCC1C(=O)O
InChIInChI=1S/C6H11FN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h3-5,9H,1-2,8H2,(H,10,11)
InChIKeyAWWMUPLUVWDDDQ-UHFFFAOYSA-N
MW162.16 g/mol
LogP-1.04
Rot. Bonds1

About 4-amino-5-fluoropiperidine-3-carboxylic acid

4-amino-5-fluoropiperidine-3-carboxylic acid (PubChem CID 122454033) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-amino-5-fluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoropiperidine-3-carboxylic acid
PubChem CID122454033
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name4-amino-5-fluoropiperidine-3-carboxylic acid
SMILESNC1C(F)CNCC1C(=O)O
InChIInChI=1S/C6H11FN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h3-5,9H,1-2,8H2,(H,10,11)
InChIKeyAWWMUPLUVWDDDQ-UHFFFAOYSA-N
XLogP-1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoropiperidine-3-carboxylic acid?
The IUPAC name of 4-amino-5-fluoropiperidine-3-carboxylic acid (CID 122454033) is 4-amino-5-fluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoropiperidine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoropiperidine-3-carboxylic acid is NC1C(F)CNCC1C(=O)O.
What is the InChIKey of 4-amino-5-fluoropiperidine-3-carboxylic acid?
The InChIKey is AWWMUPLUVWDDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h3-5,9H,1-2,8H2,(H,10,11).
What are the key properties of 4-amino-5-fluoropiperidine-3-carboxylic acid?
4-amino-5-fluoropiperidine-3-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 122454033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).