Structure & Deep Data of Trans-4-Carboxy-L-proline (C6H9NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The trans-4-Carboxy-L-proline molecule contains a total of 20 bond(s). There are 11 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 2 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 1 Pyrrolidine(s). Images of the chemical structure of trans-4-Carboxy-L-proline are given below:

The 2D chemical structure image of trans-4-Carboxy-L-proline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-4-Carboxy-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 trans-4-Carboxy-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 trans-4-Carboxy-L-proline. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Trans-4-Carboxy-L-proline Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of trans-4-Carboxy-L-proline

  The SMILES string of trans-4-Carboxy-L-proline is OC(=O)C1CNC(C1)C(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 trans-4-Carboxy-L-proline.

• Structure Data File (SDF/MOL File) of trans-4-Carboxy-L-proline

  The structure data file (SDF/MOL File) of trans-4-Carboxy-L-proline is available for download in the SDF page of trans-4-Carboxy-L-proline, which provides the information about the atoms, bonds, connectivity and coordinates of trans-4-Carboxy-L-proline. The trans-4-Carboxy-L-proline structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of trans-4-Carboxy-L-proline

  The molecular formula of trans-4-Carboxy-L-proline is available in chemical formula page of trans-4-Carboxy-L-proline, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of trans-4-Carboxy-L-proline

  The molecular weight of trans-4-Carboxy-L-proline is available in molecular weight page of trans-4-Carboxy-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 trans-4-Carboxy-L-proline

  The trans-4-Carboxy-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 trans-4-Carboxy-L-proline including the various registry numbers, if available:

  • L-trans-2,4-PDC|trans-4-Carboxy-L-proline|L-trans-Pyrrolidine-2,4-dicarboxylic acid
  • (3S,4R)-4-(tert-butoxycarbonylamino)-3-hydroxyoctanoic acid
  • (3R,4R)-4-(tert-butoxycarbonylamino)-3-hydroxyoctanoic acid
  • L-trans-Pyrrolidine-2,4-dicarboxylic acid, >=98%
  • L-TRANS-PYRROLIDINE-2,4-DICARBOXYLICACID
  • 2,4-Pyrrolidinedicarboxylic acid, (2S,4R)-
  • B6250
  • 2,4-Pyrrolidinedicarboxylicacid, (2S,4R)-
  • MFCD00153866
  • BDBM85211

  • t-2,4-PDC
  • L-trans-2,4-PDC
  • Tocris-0298
  • t-PDC
  • 64769-66-0
  • trans-4-Carboxy-L-proline

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Trans-4-Carboxy-L-proline Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trans-4-Carboxy-L-proline?
C6H9NO4
How many atoms and what are the elements included the trans-4-Carboxy-L-proline molecule?
20 atom(s) - 9 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the trans-4-Carboxy-L-proline structure?
20 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 2 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 1 Pyrrolidine(s)
What’s the trans-4-Carboxy-L-proline’s molecular weight?
159.13996 g/mol
What’s the SMILES code of trans-4-Carboxy-L-proline?
OC(=O)C1CNC(C1)C(O)=O
What’s the InChI string of trans-4-Carboxy-L-proline?
InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1
What’s the InChIKey code of trans-4-Carboxy-L-proline?
NRSBQSJHFYZIPH-DMTCNVIQSA-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).