4-Methylpyrrolidine-2-carboxylic acid
PubChem CID: 352051
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-methylpyrrolidine-2-carboxylic acid, 3005-85-4, 4-Methylproline, cis-4-methylpyrrolidine-2-carboxylic acid, trans-4-methylpyrrolidine-2-carboxylic acid, (2S)-4-methylpyrrolidine-2-carboxylic acid, L-trans-4-Methyl-2-pyrrolidinecarboxylic acid, (2R,4S)-4-Methylpyrrolidine-2-carboxylic acid, 4-Methyl-2-pyrrolidine carboxylic acid, 13532-57-5, 13532-73-5, 326811-97-6, 4-Methyl-2-pyrrolidine carboxlic acid, MFCD07784107, 4-methyl-dl-proline, SCHEMBL22269, DTXSID10952445, CHEBI:173341, KKJQZEWNZXRJFG-UHFFFAOYSA-N, 4-methylpyrrolidine-2-carboxylicacid, NSC524547, ZB0765, AKOS006279112, AB31640, AB42905, NSC-524547, SB75267, SB75268, SB75269, SB75270, AC-10127, SY321518, CS-0450701, EN300-99329 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CCCCNC5))C=O)O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpyrrolidine-2-carboxylic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -1.9 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO2 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | KKJQZEWNZXRJFG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | L-trans-4-Methyl-2-pyrrolidinecarboxylate, 4-Methylproline, 4-Methylpyrrolidine-2-carboxylate, 4-methyl proline |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CNC |
| Compound Name | 4-Methylpyrrolidine-2-carboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 129.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 129.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 129.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9) |
| Smiles | CC1CC(NC1)C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Proline and derivatives |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662601 - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662601 - 3. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662601