| CAS Number | 5626-40-4 |
| Catalog Number | AG00E166(AGN-PC-00PM2F) |
| Chemical Name | 1-(carboxymethyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(carboxymethyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12) |
| InChI Key | ZCIXWIPMALYWJT-UHFFFAOYSA-N |
| MDL Number | MFCD18811200 |
| Molecular Formula | C7H11NO4 |
| Molecular Weight | 173.1665 |
| SMILES | OC(CN1C(C(O)=O)CCC1)=O |
| Synonyms | 5626-40-4,
1-(Carboxymethyl)proline,
SCHEMBL472180,
CTK1H3669,
DTXSID70668398,
1-Pyrrolidineaceticacid, 2-carboxy-,
1-Pyrrolidineaceticacid,2-carboxy-(8CI,9CI),
1-Pyrrolidineacetic acid, 2-carboxy- (8CI,9CI),
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.168g/mol |
| Monoisotopic Mass | 173.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.3 |
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Certificate of Analysis
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