(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid

C12H24N2O2 — CID 66936033

IUPAC(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid
SMILESCN(C)[C@@H]1CCCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10-9(13(4)5)7-6-8-14(10)11(15)16/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyHFJXWQQPRTWJJC-YHMJZVADSA-N
MW228.34 g/mol
LogP2.11
Rot. Bonds1

About (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid

(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid (PubChem CID 66936033) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid
PubChem CID66936033
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid
SMILESCN(C)[C@@H]1CCCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10-9(13(4)5)7-6-8-14(10)11(15)16/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyHFJXWQQPRTWJJC-YHMJZVADSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid (CID 66936033) is (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid is CN(C)[C@@H]1CCCN(C(=O)O)C1C(C)(C)C.
What is the InChIKey of (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid?
The InChIKey is HFJXWQQPRTWJJC-YHMJZVADSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10-9(13(4)5)7-6-8-14(10)11(15)16/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid?
(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 66936033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).