| CAS Number | 130403-95-1 |
| Catalog Number | AG000UDM(AGN-PC-0C2QE8) |
| Chemical Name | 1-Pyrrolidinecarboxylic acid, 3-methoxy-, phenylmethyl ester |
| IUPAC Name | benzyl 3-methoxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H17NO3/c1-16-12-7-8-14(9-12)13(15)17-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3 |
| InChI Key | SIUNLOZEQSBXJC-UHFFFAOYSA-N |
| MDL Number | MFCD16620789 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | COC1CN(C(OCC2=CC=CC=C2)=O)CC1 |
| Synonyms | 1-CBZ-3-METHOXYPYRROLIDINE,
130403-95-1,
Benzyl 3-methoxypyrrolidine-1-carboxylate,
SCHEMBL9195578,
1-N-Cbz-3-Methoxy-pyrrolidine,
DTXSID90577337,
SIUNLOZEQSBXJC-UHFFFAOYSA-N,
ACT08106,
MFCD16620789,
AKOS027251250,
(racemic)-N-carbobenzyloxy-3-methoxypyrrolidine,
3-Methoxy-pyrrolidine-1-carboxylic acid benzyl ester,
1-Pyrrolidinecarboxylic acid, 3-methoxy-, phenylmethyl ester,
(S)-Benzyl 3-methoxypyrrolidine-1-carboxylate,
(R)-Benzyl 3-methoxypyrrolidine-1-carboxylate,
1098200-90-8,
1932324-47-4,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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