| CAS Number | 1412254-20-6 |
| Catalog Number | AG009JZS(AGN-PC-0WA46X) |
| Chemical Name | 1-[(Benzyloxy)Carbonyl]-3-Methylpyrrolidine-3-Carboxylic Acid |
| IUPAC Name | (3S)-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-/m0/s1 |
| InChI Key | PVHTZUOXJDYNBQ-AWEZNQCLSA-N |
| MDL Number | MFCD28098162 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N1C[C@](CC1)(C(=O)O)C |
| Synonyms | 1412254-20-6,
(S)-1-((benzyloxy)carbonyl)-3-methylpyrrolidine-3-carboxylic acid,
(s)-1-(benzyloxycarbonyl)-3-methylpyrrolidine-3-carboxylic acid,
(S)-3-Methyl-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester,
SCHEMBL15399318,
PVHTZUOXJDYNBQ-AWEZNQCLSA-N,
9172AH,
MFCD28098162,
ZINC62912863,
AKOS027282798,
ACN-028656,
CS-0059826,
Z-7950,
(3S)-1-[(benzyloxy)carbonyl]-3-methylpyrrolidine-3-carboxylic acid,
Trifluorothymine,
C14H17NO4,
1-[(BENZYLOXY)CARBONYL]-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID,
54-20-6,
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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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