| CAS Number | 1412254-17-1 |
| Catalog Number | AG009JYU(AGN-PC-0WNXAP) |
| Chemical Name | (R)-1-((Benzyloxy)carbonyl)-3-methylpyrrolidine-3-carboxylic acid |
| IUPAC Name | (3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C14H17NO4/c1-14(12(16)17)7-8-15(10-14)13(18)19-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)/t14-/m1/s1 |
| InChI Key | PVHTZUOXJDYNBQ-CQSZACIVSA-N |
| MDL Number | MFCD28098161 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | O=C(N1C[C@@](C(O)=O)(C)CC1)OCC2=CC=CC=C2 |
| Synonyms | (R)-3-Methyl-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester,
1412254-17-1,
(R)-1-((benzyloxy)carbonyl)-3-methylpyrrolidine-3-carboxylic acid,
SCHEMBL15399147,
MFCD28098161,
ZINC62912864,
ACN-047827,
CS-0059833,
Z-7949,
(R)-1-(benzyloxycarbonyl)-3-methylpyrrolidine-3-carboxylic acid,
1217655-90-7,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.293g/mol |
| Monoisotopic Mass | 263.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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