(3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid

C6H11FN2O2 — CID 68524878

IUPAC(3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyCAEZAVZPWJXUQP-UHNVWZDZSA-N
MW162.16 g/mol
LogP0.04
Rot. Bonds

About (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid

(3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid (PubChem CID 68524878) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid
PubChem CID68524878
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name(3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyCAEZAVZPWJXUQP-UHNVWZDZSA-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 (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid (CID 68524878) is (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid is N[C@H]1CCN(C(=O)O)C[C@H]1F.
What is the InChIKey of (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is CAEZAVZPWJXUQP-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-3-9(6(10)11)2-1-5(4)8/h4-5H,1-3,8H2,(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid?
(3R,4S)-4-amino-3-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 (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 68524878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).