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

C10H19FN2O2 — CID 129050281

IUPAC(3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(N)CCN(C(=O)O)C[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)10(12)4-5-13(8(14)15)6-7(10)11/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyDJHIDGRNBWZDHK-OIBJUYFYSA-N
MW218.27 g/mol
LogP1.45
Rot. Bonds

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

(3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid (PubChem CID 129050281) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid
PubChem CID129050281
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(N)CCN(C(=O)O)C[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)10(12)4-5-13(8(14)15)6-7(10)11/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,10+/m0/s1
InChIKeyDJHIDGRNBWZDHK-OIBJUYFYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid (CID 129050281) is (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid is CC(C)(C)[C@@]1(N)CCN(C(=O)O)C[C@@H]1F.
What is the InChIKey of (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is DJHIDGRNBWZDHK-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-9(2,3)10(12)4-5-13(8(14)15)6-7(10)11/h7H,4-6,12H2,1-3H3,(H,14,15)/t7-,10+/m0/s1.
What are the key properties of (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid?
(3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 218.27 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-4-tert-butyl-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 129050281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).