(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid

C10H19FN2O2 — CID 155125053

IUPAC(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@H]1CN(C(=O)O)CC[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)12-8-6-13(9(14)15)5-4-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyLFWBCQJIVOCCSE-YUMQZZPRSA-N
MW218.27 g/mol
LogP1.46
Rot. Bonds1

About (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid

(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid (PubChem CID 155125053) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
PubChem CID155125053
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@H]1CN(C(=O)O)CC[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)12-8-6-13(9(14)15)5-4-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyLFWBCQJIVOCCSE-YUMQZZPRSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid (CID 155125053) is (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid is CC(C)(C)N[C@H]1CN(C(=O)O)CC[C@@H]1F.
What is the InChIKey of (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid?
The InChIKey is LFWBCQJIVOCCSE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)12-8-6-13(9(14)15)5-4-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid?
(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid has a molecular weight of 218.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 155125053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).