2-Pyrrolidineacetic acid
PubChem CID: 123784
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| Compound Synonyms | 56879-46-0, 2-(Pyrrolidin-2-yl)acetic acid, 2-Pyrrolidineacetic acid, (+/-)-Homoproline, beta-Homoproline, PYRROLIDIN-2-YL-ACETIC ACID, 2-pyrrolidin-2-ylacetic acid, Pyrrolidine-2-acetic acid, C7315YL6ZG, (S)-2-(2-PYRROLIDINYL)ACETIC ACID, UNII-C7315YL6ZG, MFCD01863750, MFCD11505916, D-beta-homoproline, MFCD08458431, 2-Pyrrolidinessigsaure, 2-Pyrrolidinylacetic acid #, (Pyrrolidin-2-yl)acetic acid, 2-(Pyrrolidin-2-yl)aceticacid, SCHEMBL1476244, HOMOPROLINE, (+/-)-, DTXSID70972301, ADSALMJPJUKESW-UHFFFAOYSA-N, CHEBI:166840, (R)-2-(2-Pyrrolidinyl)acetic Acid, AKOS009997119, PB32289, PB32966, SB19927, SB19928, SB37705, AS-30515, SY107247, SY245644, EN300-50592, H67201, Q27275271 |
|---|---|
| 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 | OC=O)CCCCCN5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyrrolidines |
| Scaffold Graph Node Level | C1CCNC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pyrrolidin-2-ylacetic acid |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO2 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | ADSALMJPJUKESW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-pyrrolidine acetic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CNC |
| Compound Name | 2-Pyrrolidineacetic 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/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9) |
| Smiles | C1CC(NC1)CC(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
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