tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate

C15H29NO2 — CID 67953206

IUPACtert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCCC1C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-8-7-10-16(12)11-9-13(17)18-15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyFBMVEUXJHPTAHS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate

tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate (PubChem CID 67953206) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate
PubChem CID67953206
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCCC1C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-8-7-10-16(12)11-9-13(17)18-15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyFBMVEUXJHPTAHS-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate (CID 67953206) is tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate is CC(C)(C)OC(=O)CCN1CCCC1C(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate?
The InChIKey is FBMVEUXJHPTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12-8-7-10-16(12)11-9-13(17)18-15(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate?
tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-tert-butylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 67953206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).