| CAS Number | 1609400-89-6 |
| Catalog Number | AG00J1IA(AGN-PC-0WB6TW) |
| Chemical Name | 1-(2-methoxyethyl)-3-pyrrolidinecarboxylic acid hydrate |
| IUPAC Name | 1-(2-methoxyethyl)pyrrolidine-3-carboxylic acid;hydrate |
| InChI | InChI=1S/C8H15NO3.H2O/c1-12-5-4-9-3-2-7(6-9)8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H2 |
| InChI Key | MQEYILDFMOQAGW-UHFFFAOYSA-N |
| MDL Number | MFCD09055341 |
| Molecular Formula | C8H17NO4 |
| Molecular Weight | 191.2249 |
| SMILES | C1(CCN(CCOC)C1)C(O)=O.O |
| Synonyms | 1609400-89-6,
1-(2-Methoxyethyl)pyrrolidine-3-carboxylic acid hydrate,
1-(2-methoxyethyl)-3-pyrrolidinecarboxylic acid hydrate,
ZX-CM004635,
MFCD13193965,
AKOS027426618,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.227g/mol |
| Monoisotopic Mass | 191.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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