tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate

C12H23NO2 — CID 67953868

IUPACtert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
SMILESCCC1CCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-10-7-6-8-13(10)9-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMZYBDRBYTYYRTP-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate

tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate (PubChem CID 67953868) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
PubChem CID67953868
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
SMILESCCC1CCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-10-7-6-8-13(10)9-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMZYBDRBYTYYRTP-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
CID 103353154
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
tert-butyl 2-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]acetate
CID 68999684
tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255220
4-(2-ethylpyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 77005923
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
CID 56526939

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate (CID 67953868) is tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate is CCC1CCCN1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate?
The InChIKey is MZYBDRBYTYYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10-7-6-8-13(10)9-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate?
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 67953868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).