tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate

C13H23NO5 — CID 134373593

IUPACtert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-11(16)10(15)9-7-6-8-14(9)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3
InChIKeyWEBGAUOHJNDFIX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 134373593) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID134373593
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-5-18-11(16)10(15)9-7-6-8-14(9)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3
InChIKeyWEBGAUOHJNDFIX-UHFFFAOYSA-N
XLogP1.31
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate;1,3-difluorobenzene
CID 142310462
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl (2S)-2-[(2R)-4-ethoxy-1-nitro-4-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 22869541
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 57022513
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
tert-butyl 2-(4-hydroxyheptan-3-yl)piperidine-1-carboxylate
CID 79561025

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 134373593) is tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate is CCOC(=O)C(O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is WEBGAUOHJNDFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-18-11(16)10(15)9-7-6-8-14(9)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134373593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).