5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C12H16N2O4 — CID 79795048

IUPAC5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)COc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)14-10(15)7-18-8-4-5-9(11(16)17)13-6-8/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMVFUJKBVZBLJJH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.07
Rot. Bonds4

About 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 79795048) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID79795048
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)COc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O4/c1-12(2,3)14-10(15)7-18-8-4-5-9(11(16)17)13-6-8/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMVFUJKBVZBLJJH-UHFFFAOYSA-N
XLogP1.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
5-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 115491098
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[2-(2-cyanoethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795043
5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789742
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-5-[(2E)-2-(fluoromethylidene)butoxy]pyridine-2-carboxamide
CID 159419183
5-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789743
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 115753072

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 79795048) is 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is CC(C)(C)NC(=O)COc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is MVFUJKBVZBLJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)14-10(15)7-18-8-4-5-9(11(16)17)13-6-8/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79795048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).