tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate

C17H27NO2 — CID 130224484

IUPACtert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate
SMILESCCC(c1ccc(CC(=O)OC(C)(C)C)nc1)C(C)C
InChIInChI=1S/C17H27NO2/c1-7-15(12(2)3)13-8-9-14(18-11-13)10-16(19)20-17(4,5)6/h8-9,11-12,15H,7,10H2,1-6H3
InChIKeyGHXRLNUJODEZJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.12
Rot. Bonds5

About tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate

tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate (PubChem CID 130224484) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate
PubChem CID130224484
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate
SMILESCCC(c1ccc(CC(=O)OC(C)(C)C)nc1)C(C)C
InChIInChI=1S/C17H27NO2/c1-7-15(12(2)3)13-8-9-14(18-11-13)10-16(19)20-17(4,5)6/h8-9,11-12,15H,7,10H2,1-6H3
InChIKeyGHXRLNUJODEZJJ-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate 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

ethyl 2-[5-(1-sulfanylethyl)-2-pyridinyl]acetate
CID 139459101
tert-butyl 3-(6-amino-3-pyridinyl)butanoate
CID 167726069
tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
CID 67463487
tert-butyl 5-methyl-4-(4-methylphenyl)hexanoate
CID 58439497
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl 2-[6-(cyanomethyl)-3-pyridinyl]acetate
CID 75406742
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 147846858
tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
CID 118421994
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
tert-butyl 3-(5-bromo-2-pyridinyl)propanoate
CID 134284473
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate (CID 130224484) is tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate is CCC(c1ccc(CC(=O)OC(C)(C)C)nc1)C(C)C.
What is the InChIKey of tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate?
The InChIKey is GHXRLNUJODEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-15(12(2)3)13-8-9-14(18-11-13)10-16(19)20-17(4,5)6/h8-9,11-12,15H,7,10H2,1-6H3.
What are the key properties of tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate?
tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate has a molecular weight of 277.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate is sourced from PubChem (CID 130224484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).