2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid

C10H17NO2 — CID 159354526

IUPAC2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1CCC=CN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h5,7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyLHTIZOVNNOQOKT-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.69
Rot. Bonds

About 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid

2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 159354526) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID159354526
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1CCC=CN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h5,7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyLHTIZOVNNOQOKT-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 159354526) is 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid is CC(C)(C)C1CCC=CN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is LHTIZOVNNOQOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h5,7-8H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 159354526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).