(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid

C10H19NO2 — CID 58926545

IUPAC(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)[C@@H]1CNCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-6-11-5-4-7(8)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyABHGJQPYTWNNLX-JGVFFNPUSA-N
MW185.27 g/mol
LogP1.34
Rot. Bonds1

About (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid

(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid (PubChem CID 58926545) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid
PubChem CID58926545
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)[C@@H]1CNCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-6-11-5-4-7(8)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyABHGJQPYTWNNLX-JGVFFNPUSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid (CID 58926545) is (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid is CC(C)(C)[C@@H]1CNCC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid?
The InChIKey is ABHGJQPYTWNNLX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)8-6-11-5-4-7(8)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid?
(3R,4S)-3-tert-butylpiperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-tert-butylpiperidine-4-carboxylic acid is sourced from PubChem (CID 58926545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).