(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid

C10H15NO2 — CID 68931604

IUPAC(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C=CC=CN1C(=O)O
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyMZMUJVBGJISRIE-QMMMGPOBSA-N
MW181.24 g/mol
LogP2.46
Rot. Bonds

About (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid

(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid (PubChem CID 68931604) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid
PubChem CID68931604
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C=CC=CN1C(=O)O
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyMZMUJVBGJISRIE-QMMMGPOBSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-tert-butyl-2H-pyridine-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 (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid (CID 68931604) is (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid is CC(C)(C)[C@@H]1C=CC=CN1C(=O)O.
What is the InChIKey of (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid?
The InChIKey is MZMUJVBGJISRIE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-8H,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid?
(2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid has a molecular weight of 181.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).