Structure & Deep Data of Boc-pyr-oet (C12H19NO5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The boc-pyr-oet molecule contains a total of 37 bond(s). There are 18 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 imide(s) (-thio). Images of the chemical structure of boc-pyr-oet are given below:

The 2D chemical structure image of boc-pyr-oet is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of boc-pyr-oet are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of boc-pyr-oet is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of boc-pyr-oet. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Boc-pyr-oet Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of boc-pyr-oet

  The SMILES string of boc-pyr-oet is CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the boc-pyr-oet.

• Structure Data File (SDF/MOL File) of boc-pyr-oet

  The structure data file (SDF/MOL File) of boc-pyr-oet is available for download in the SDF page of boc-pyr-oet, which provides the information about the atoms, bonds, connectivity and coordinates of boc-pyr-oet. The boc-pyr-oet structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of boc-pyr-oet

  The molecular formula of boc-pyr-oet is available in chemical formula page of boc-pyr-oet, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of boc-pyr-oet

  The molecular weight of boc-pyr-oet is available in molecular weight page of boc-pyr-oet, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of boc-pyr-oet

  The boc-pyr-oet compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of boc-pyr-oet including the various registry numbers, if available:

  • (2S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid ethyl ester
  • (S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Ethyl Ester
  • Ethyl (S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate
  • 1-O-tert-butyl2-O-ethyl(2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • 1-O-tert-butyl 2-O-ethyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • ethyl (S)-1-tert-butoxycarbonyl-2-pyrrolidone-5-carboxylate
  • N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid Ethyl Ester
  • ETHYL (S)-N-(TERT-BUTOXYCARBONYL)PYROGLUTAMATE
  • 1-(tert-Butoxycarbonyl)-5-oxo-L-proline ethyl ester
  • I14-3153

  • B67303
  • A-2464
  • Ethyl N-(tert-Butoxycarbonyl)-L-pyroglutamate
  • E1135
  • H897
  • N-Boc- L-pyroglutamic acid ethyl ester
  • UPCMLD00WCRH2-043:002
  • MFCD07778090
  • N-Boc-L-pyroglutamic Acid Ethyl
  • Jsp002635

  • UPCMLD00WCRH2-043
  • (s)-ethyl n-boc-pyroglutamate
  • Ethyl N-Boc(S)-pyroglutamate
  • Ethyl N-Boc-L-pyroglutamate
  • Ethyl Boc-L-pyroglutamate
  • 1-(tert-butyl) 2-ethyl (S)-5-oxopyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
  • (S)-5-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-ETHYL ESTER
  • (S)-N-alpha-t-Butyloxycarbonyl-pyroglutamic acid ethyl ester
  • Q-101864

  • BOC-L-PYR-OET
  • (S)-1-TERT-BUTYL 2-ETHYL 5-OXOPYRROLIDINE-1,2-DICARBOXYLATE
  • Boc-L-Pyroglutamic acid ethyl ester
  • 1-Boc-L-Pyroglutamic acid ethyl ester
  • N-Boc-L-pyroglutamic acid ethyl ester
  • (s)-ethyl-n-boc-pyroglutamate
  • 144978-12-1
  • boc-pyr-oet

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Boc-pyr-oet Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of boc-pyr-oet?
C12H19NO5
How many atoms and what are the elements included the boc-pyr-oet molecule?
37 atom(s) - 19 Hydrogen atom(s), 12 Carbon atom(s), 1 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the boc-pyr-oet structure?
37 bond(s) - 18 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 imide(s) (-thio)
What’s the boc-pyr-oet’s molecular weight?
257.28296 g/mol
What’s the SMILES code of boc-pyr-oet?
CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C
What’s the InChI string of boc-pyr-oet?
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
What’s the InChIKey code of boc-pyr-oet?
YWWWGFSJHCFVOW-QMMMGPOBSA-N

15 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).