1-Methylpyrrolidine-2-carboxylic acid
PubChem CID: 557
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-methylpyrrolidine-2-carboxylic acid, 68078-09-1, 1-Methyl-pyrrolidine-2-carboxylic acid, 1-Methylproline, 1-Methyl-DL-proline, proline, 1-methyl-, N-Me-Pro-OH, N-methylproline, DTXSID10274275, methylproline, METHYL-D-PROLINE, D-Proline, 1-methyl-, L-Proline, 1-methyl-, MFCD00011565, 1-Methylproline #, MFCD01605583, n-methyl-(l)-proline, N-methyl-D,L-proline, SCHEMBL145545, 1-methylpyrrolidine-2-carboxylate, DTXCID40225755, ALBB-016470, CS-B1576, NSC45492, 1-methylpyrrolidine-2-carboxylicacid, NSC-45492, XH1270, N-Methylpyrrolidine-2-carboxylic acid, AKOS004910667, SB13701, SB13702, SB13703, SDCCGMLS-0064715.P001, BS-13089, SY004606, SY004607, DB-072429, EN300-60915, Q3596761, Z424762078, 836-213-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Pyrrolidine alkaloids |
| Deep Smiles | CNCCCC5C=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 | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylpyrrolidine-2-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO2 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | CWLQUGTUXBXTLF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-methylpyrrolidine-2-carboxylic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN(C)C |
| Compound Name | 1-Methylpyrrolidine-2-carboxylic acid |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| Smiles | CN1CCCC1C(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006