tert-butyl 2-ethoxypyrrolidine-1-carboxylate

C11H21NO3 — CID 11171930

IUPACtert-butyl 2-ethoxypyrrolidine-1-carboxylate
SMILESCCOC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-14-9-7-6-8-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyIRHZVRHDKAAQOV-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl 2-ethoxypyrrolidine-1-carboxylate

tert-butyl 2-ethoxypyrrolidine-1-carboxylate (PubChem CID 11171930) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-ethoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethoxypyrrolidine-1-carboxylate
PubChem CID11171930
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-ethoxypyrrolidine-1-carboxylate
SMILESCCOC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-14-9-7-6-8-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyIRHZVRHDKAAQOV-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
tert-butyl 2-butoxypyrrolidine-1-carboxylate
CID 90863874
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
CID 175607983
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 143133647

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethoxypyrrolidine-1-carboxylate (CID 11171930) is tert-butyl 2-ethoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethoxypyrrolidine-1-carboxylate is CCOC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethoxypyrrolidine-1-carboxylate?
The InChIKey is IRHZVRHDKAAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-14-9-7-6-8-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-ethoxypyrrolidine-1-carboxylate?
tert-butyl 2-ethoxypyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 11171930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).