tert-butyl 2-(3-ethylazetidin-3-yl)acetate

C11H21NO2 — CID 118030861

IUPACtert-butyl 2-(3-ethylazetidin-3-yl)acetate
SMILESCCC1(CC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H21NO2/c1-5-11(7-12-8-11)6-9(13)14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyPBSQXBUBEISSIE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl 2-(3-ethylazetidin-3-yl)acetate

tert-butyl 2-(3-ethylazetidin-3-yl)acetate (PubChem CID 118030861) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-(3-ethylazetidin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethylazetidin-3-yl)acetate
PubChem CID118030861
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-(3-ethylazetidin-3-yl)acetate
SMILESCCC1(CC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H21NO2/c1-5-11(7-12-8-11)6-9(13)14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyPBSQXBUBEISSIE-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(1-ethylcyclopropyl)propanoate
CID 166027705
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl 2-(3-prop-1-en-2-ylpyrrolidin-3-yl)acetate
CID 140992404
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
tert-butyl 2-(2-azaspiro[3.5]nonan-7-yl)acetate
CID 176906333
3,3-diethylazetidine;hydrochloride
CID 119032125
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
2-[(1S,3R)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]acetic acid
CID 58626989
tert-butyl 5-methyl-3-azabicyclo[3.1.1]heptane-1-carboxylate
CID 167717750

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethylazetidin-3-yl)acetate?
The IUPAC name of tert-butyl 2-(3-ethylazetidin-3-yl)acetate (CID 118030861) is tert-butyl 2-(3-ethylazetidin-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethylazetidin-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-ethylazetidin-3-yl)acetate is CCC1(CC(=O)OC(C)(C)C)CNC1.
What is the InChIKey of tert-butyl 2-(3-ethylazetidin-3-yl)acetate?
The InChIKey is PBSQXBUBEISSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-11(7-12-8-11)6-9(13)14-10(2,3)4/h12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethylazetidin-3-yl)acetate?
tert-butyl 2-(3-ethylazetidin-3-yl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethylazetidin-3-yl)acetate is sourced from PubChem (CID 118030861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).