4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid

C11H19N3O2 — CID 53432667

IUPAC4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(N)(C#N)CCN1C(=O)O
InChIInChI=1S/C11H19N3O2/c1-10(2,3)8-6-11(13,7-12)4-5-14(8)9(15)16/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyCPEBGIWXOVTTKX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds

About 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid

4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid (PubChem CID 53432667) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
PubChem CID53432667
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(N)(C#N)CCN1C(=O)O
InChIInChI=1S/C11H19N3O2/c1-10(2,3)8-6-11(13,7-12)4-5-14(8)9(15)16/h8H,4-6,13H2,1-3H3,(H,15,16)
InChIKeyCPEBGIWXOVTTKX-UHFFFAOYSA-N
XLogP1.40
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The IUPAC name of 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid (CID 53432667) is 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid is CC(C)(C)C1CC(N)(C#N)CCN1C(=O)O.
What is the InChIKey of 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
The InChIKey is CPEBGIWXOVTTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2,3)8-6-11(13,7-12)4-5-14(8)9(15)16/h8H,4-6,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid?
4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tert-butyl-4-cyanopiperidine-1-carboxylic acid is sourced from PubChem (CID 53432667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).