1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid

C13H17NO3 — CID 105496299

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

About 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid

1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid (PubChem CID 105496299) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid
PubChem CID105496299
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)n1c(C2CC2)ccc(C(=O)O)c1=O
InChIInChI=1S/C13H17NO3/c1-13(2,3)14-10(8-4-5-8)7-6-9(11(14)15)12(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyBPZGAVQOTAPCIM-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

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Related Compounds

1-tert-butyl-2-cyclopropyl-6-oxopyridine-4-carboxylic acid
CID 105496288
6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 105477493
6-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 151618895
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
1-tert-butyl-2-cyclopropylbenzimidazole-5-carboxylic acid
CID 43322785
2-cyclopentylterephthalic acid
CID 174865784
2-tert-butyl-3-oxopyridazine-4-carboxylic acid
CID 12778306
5-tert-butyl-2-cyclopropylfuran-3-carboxylic acid
CID 83604036
2,3-bis(4-hydroxycyclohexyl)terephthalic acid
CID 67893877
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
CID 82523612
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid (CID 105496299) is 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid is CC(C)(C)n1c(C2CC2)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is BPZGAVQOTAPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)14-10(8-4-5-8)7-6-9(11(14)15)12(16)17/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-carboxylic acid?
1-tert-butyl-6-cyclopropyl-2-oxopyridine-3-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-6-cyclopropyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 105496299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).