4-(Hydroxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID: 5318294
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| Compound Synonyms | 4-(hydroxymethyl)pyrrolidine-2-carboxylic acid, L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid, 4-Oxy-methylprolin, SCHEMBL1476315, CHEBI:173604 |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Description | L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid belongs to proline and derivatives class of compounds. Those are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid is soluble (in water) and a moderately acidic compound (based on its pKa). L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid can be found in fruits and pomes, which makes L-cis-4-(hydroxymethyl)-2-pyrrolidinecarboxylic acid a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)pyrrolidine-2-carboxylic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H11NO3 |
| Inchi Key | CISMGNUPDUKNQK-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 4-(Hydroxymethyl)proline, 9CI, 4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid, L-cis-form, 4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid, D-trans-form, L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylate, 4-(Hydroxymethyl)pyrrolidine-2-carboxylate, (2R,4S)-4-(Hydroxymethyl)-2-pyrrolidinecarboxylate |
| Compound Name | 4-(Hydroxymethyl)pyrrolidine-2-carboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 145.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 145.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 145.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10) |
| Smiles | C1C(CNC1C(=O)O)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Proline and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all