Structure & Deep Data of Boc-L-proline (C10H17NO4)

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-L-proline molecule contains a total of 32 bond(s). There are 15 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 Pyrrolidine(s). Images of the chemical structure of Boc-L-proline are given below:

The 2D chemical structure image of Boc-L-proline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Boc-L-proline 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-L-proline 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-L-proline. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Boc-L-proline Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Boc-L-proline

  The SMILES string of Boc-L-proline is CC(C)(C)OC(=O)N1CCCC1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Boc-L-proline.

• Structure Data File (SDF/MOL File) of Boc-L-proline

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

• Chemical formula of Boc-L-proline

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

• Molecular weight of Boc-L-proline

  The molecular weight of Boc-L-proline is available in molecular weight page of Boc-L-proline, 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-L-proline

  The Boc-L-proline 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-L-proline including the various registry numbers, if available:

  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)- (9CI)
  • (S)-1,2-PYRROLIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) ESTER
  • (2S)-1,2-PYRROLIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) ESTER
  • 1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, L- (8CI)
  • (S)-2-(TERT-BUTOXYCARBONYL)-1-PYRROLIDINECARBOXYLIC ACID
  • (2S)-PYRROLIDINE-2-CARBOXYLIC ACID, N-BOC PROTECTED
  • (2S)-1-[(tert-butyl)oxycarbonyl]pyrrolidine-2-carboxylic acid
  • (S)-pyrrolidine-1,2-dicarboxylic acid-1-tert-butyl ester
  • (S)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic acid
  • F0001-2357

  • (S)pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
  • (S)-pyrrolidine-1,2-dicarboxylic acid 1-tertbutyl ester
  • (2S)-pyrrolidine-1,2-dicarboxylic acid-1-t-butylester
  • (2S)-1-tert-butoxycarbonylpyrrolidine-2-carboxylic acid
  • pyrrolidine-1,2(S)-dicarboxylic acid 1-t-butyl ester
  • (S)pyrrolidine-1,2-dicarboxylic acid tert butyl ester
  • C-11508
  • 1-{[(1,1-dimethylethyl)oxy]carbonyl}-L-proline
  • (2S)-1-BOC-PYRROLIDINE-2-CARBOXYLIC ACID
  • N-(tert-Butoxycarbonyl)-L-proline; Boc-Pro-OH

  • M03314
  • B-1554
  • A10087
  • (S)-BOC-PYRROLIDINE-2-CARBOXYLIC ACID
  • (S)-1,2-PYRROLIDINEDICARBOXYLIC ACID
  • B1188
  • A7815
  • BBV-32449372
  • RTR-006624
  • N-(tert-butyloxycarbonyl)-(S)-proline

  • Boc-Pro-OH, >=99.0% (T)
  • 1-(tert-Butoxycarbonyl)proline, (L)-
  • (TERT-BUTOXYCARBONYL)-L-PROLINE
  • N-(tert-butoxycarbonyl)-(L)-proline
  • (S)-N-(tert-butoxycarbonyl)-proline
  • AR-1B3305
  • ANW-21708
  • N-tert-Butoxycarbonylproline, (S)-
  • 91716-96-0
  • 1-(tert-butoxycarbonyl)-L-proline

  • N-tert-butoxycarbonyl-(L)-proline
  • KST-1B0758
  • HMS2212B13
  • UPCMLD00WGW001:001
  • 1-(tert-Butyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, L-
  • (S)-N-tert-Butoxycarbonylproline
  • N-tert-butoxycarbonyl-L-proline
  • N-tert-butoxycarbonyl L-proline
  • N-t-butoxycarbonyl-(S)-proline

  • N-(t-butoxycarbonyl)-L-proline
  • Jsp003117
  • N-Boc-3,4-dihydro-L-proline
  • tert-Butoxycarbonylproline, L-
  • N-t-butyloxycarbonyl-L-proline
  • t-butyloxycarbonyl-L-proline
  • N-tert-Butoxycarbonylprolin
  • N-T-BOC-L-PROLINE
  • Boc-Pro-OH, 99%
  • BOC-L-PROLINE-OH

  • N-t-butoxycarbonylproline
  • t-butoxycarbonyl proline
  • BOC-PRO
  • L-BOCPRO
  • N-Boc-(L)-proline
  • (S)-N-Boc-proline
  • t-butoxycarbonylproline
  • Boc -(L)-proline
  • Boc-(L)-proline
  • N-BOC-proline

  • N-Boc L-proline
  • t-Boc-l-proline
  • N-Boc proline
  • BOC proline
  • N-alpha-t-BOC-L-PROLINE
  • (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
  • Q-101638
  • J-300222
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
  • (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

  • tert-Butoxycarbonylproline
  • (2S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid
  • MFCD00037324
  • N-T-BUTOXYCARBONYL-L-PROLINE
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)-
  • L-Proline, N-BOC protected
  • N-BOC-(S)-PROLINE
  • N-alpha-t-Butyloxycarbonyl-L-proline
  • BOC-L-PRO
  • 1-tert-Butyloxycarbonyl-L-proline

  • 1-(tert-butoxycarbonyl)-l-prolin
  • tert-Butyloxycarbonyl-L-proline
  • N-tert-Butoxycarbonylproline
  • Boc-proline
  • 1-tert-Butoxycarbonyl-L-proline
  • tert-Butoxycarbonyl-L-proline
  • (S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
  • N-(TERT-BUTOXYCARBONYL)PROLINE
  • N-(tert-Butyloxycarbonyl)-L-proline
  • Boc-L-Pro-OH

  • N-(tert-Butoxycarbonyl)-L-proline
  • N-Boc-L-proline
  • Boc-Pro-OH
  • 15761-39-4
  • Boc-L-proline

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Boc-L-proline Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Boc-L-proline?
C10H17NO4
How many atoms and what are the elements included the Boc-L-proline molecule?
32 atom(s) - 17 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Boc-L-proline structure?
32 bond(s) - 15 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 Pyrrolidine(s)
What’s the Boc-L-proline’s molecular weight?
215.24628 g/mol
What’s the SMILES code of Boc-L-proline?
CC(C)(C)OC(=O)N1CCCC1C(O)=O
What’s the InChI string of Boc-L-proline?
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
What’s the InChIKey code of Boc-L-proline?
ZQEBQGAAWMOMAI-ZETCQYMHSA-N

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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).