(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid

C10H19FN2O2 — CID 175147043

IUPAC(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(CN)[C@H]1C[C@@H](F)CN(C(=O)O)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,6-12)7-3-8(11)5-13(4-7)9(14)15/h7-8H,3-6,12H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyNBENGBUDGKNADB-JGVFFNPUSA-N
MW218.27 g/mol
LogP1.31
Rot. Bonds2

About (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid

(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid (PubChem CID 175147043) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid
PubChem CID175147043
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(CN)[C@H]1C[C@@H](F)CN(C(=O)O)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,6-12)7-3-8(11)5-13(4-7)9(14)15/h7-8H,3-6,12H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyNBENGBUDGKNADB-JGVFFNPUSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid (CID 175147043) is (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid is CC(C)(CN)[C@H]1C[C@@H](F)CN(C(=O)O)C1.
What is the InChIKey of (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid?
The InChIKey is NBENGBUDGKNADB-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,6-12)7-3-8(11)5-13(4-7)9(14)15/h7-8H,3-6,12H2,1-2H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid?
(3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid has a molecular weight of 218.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(1-amino-2-methylpropan-2-yl)-5-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175147043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).