1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid

C13H17NO3 — CID 105496288

IUPAC1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)n1c(C2CC2)cc(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO3/c1-13(2,3)14-10(8-4-5-8)6-9(12(16)17)7-11(14)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyVGBPLVQRKCRDCE-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.18
Rot. Bonds2

About 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid

1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid (PubChem CID 105496288) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid
PubChem CID105496288
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid
SMILESCC(C)(C)n1c(C2CC2)cc(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO3/c1-13(2,3)14-10(8-4-5-8)6-9(12(16)17)7-11(14)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyVGBPLVQRKCRDCE-UHFFFAOYSA-N
XLogP2.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-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

Related Compounds

1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 105496299
2-cyclopentyl-1-ethyl-6-oxopyridine-4-carboxylic acid
CID 105496296
4-amino-6-cyclopropyl-1-(trifluoromethyl)pyridin-2-one
CID 105471937
2-cyclohexyl-3-deuterio-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759477
1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carboxamide
CID 177129727
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 154729807
(3R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 129414668
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
5-bromo-1-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrazolo[1,2-a]diazepin-3-one
CID 68678232
6-cyclopropylindolizine-2-carboxylic acid
CID 139490633

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid (CID 105496288) is 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid is CC(C)(C)n1c(C2CC2)cc(C(=O)O)cc1=O.
What is the InChIKey of 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid?
The InChIKey is VGBPLVQRKCRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)14-10(8-4-5-8)6-9(12(16)17)7-11(14)15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid?
1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 105496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).