(3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid

C10H19FN2O2 — CID 156905249

IUPAC(3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](N)C[C@@H](F)CN1C(=O)O
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)8-7(12)4-6(11)5-13(8)9(14)15/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7-,8?/m1/s1
InChIKeyAKIZEJHEHWQFHA-GCJDJSOWSA-N
MW218.27 g/mol
LogP1.45
Rot. Bonds

About (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid

(3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid (PubChem CID 156905249) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid
PubChem CID156905249
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)C1[C@H](N)C[C@@H](F)CN1C(=O)O
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)8-7(12)4-6(11)5-13(8)9(14)15/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7-,8?/m1/s1
InChIKeyAKIZEJHEHWQFHA-GCJDJSOWSA-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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Related Compounds

5,5-Dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 17982929
2-(1-Fluorobutyl)piperazine-1-carboxylic acid
CID 66820647
[2-Amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
CID 67191458
Tert-butyl-[5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420391
tert-butyl-[(3R,5S)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420392
[1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethylpropyl]carbamic acid
CID 69297543
1-(1-Fluorobutyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 69400731
2-Tert-butyl-4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 86644807
(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 87890861
4-Amino-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 117876721
[1-(4-Fluorocyclohexyl)-3,3-dimethylpiperidin-4-yl]carbamic acid
CID 117988681
6-Tert-butyl-3-fluoro-2-(4-fluoro-2-oxoimidazolidin-1-yl)piperidine-1-carboxylic acid
CID 122454096

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid (CID 156905249) is (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid is CC(C)(C)C1[C@H](N)C[C@@H](F)CN1C(=O)O.
What is the InChIKey of (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid?
The InChIKey is AKIZEJHEHWQFHA-GCJDJSOWSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)8-7(12)4-6(11)5-13(8)9(14)15/h6-8H,4-5,12H2,1-3H3,(H,14,15)/t6-,7-,8?/m1/s1.
What are the key properties of (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid?
(3R,5R)-3-amino-2-tert-butyl-5-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 (3R,5R)-3-amino-2-tert-butyl-5-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 156905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).