| CAS Number | 1946010-81-6 |
| Catalog Number | AG00IKPS(AGN-PC-0WNH3T) |
| Chemical Name | (2S,4R)-1,4-dimethylpyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S,4R)-1,4-dimethylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C7H13NO2/c1-5-3-6(7(9)10)8(2)4-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m1/s1 |
| InChI Key | FAKNQOZVXKYTPZ-RITPCOANSA-N |
| MDL Number | MFCD30146473 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | C[C@@H]1C[C@@H](C(=O)O)N(C)C1 |
| Synonyms | (2S,4R)-1,4-Dimethylpyrrolidine-2-carboxylic acid,
1946010-81-6,
SCHEMBL4072231,
ZINC79110005,
AS-52860,
CS-0053424,
KS-00000878,
na,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.094629g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.18g/mol |
| Monoisotopic Mass | 143.094629g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
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Certificate of Analysis
Lot Number