tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate

C17H23NO2 — CID 146423069

IUPACtert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2CC2)nc1C1CC1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-15(19)10-13-8-9-14(11-4-5-11)18-16(13)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyGSWJXODYFMCGHQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate

tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate (PubChem CID 146423069) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate
PubChem CID146423069
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nametert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2CC2)nc1C1CC1
InChIInChI=1S/C17H23NO2/c1-17(2,3)20-15(19)10-13-8-9-14(11-4-5-11)18-16(13)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyGSWJXODYFMCGHQ-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2,6-dicyclopropyl-3-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

2-butan-2-yl-6-cyclopropyl-3-propylpyridine;tert-butyl acetate
CID 143612159
tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate
CID 177029457
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 2-[6-(2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]acetate
CID 58386985
tert-butyl 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]propanoate
CID 160954971
tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
CID 170992050
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
6-cyclopropyl-3-ethyl-2-fluoropyridine
CID 174053558
tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
CID 102111211
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate (CID 146423069) is tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate is CC(C)(C)OC(=O)Cc1ccc(C2CC2)nc1C1CC1.
What is the InChIKey of tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate?
The InChIKey is GSWJXODYFMCGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)20-15(19)10-13-8-9-14(11-4-5-11)18-16(13)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate?
tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate has a molecular weight of 273.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate is sourced from PubChem (CID 146423069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).