| CAS Number | 1279026-84-4 |
| Catalog Number | AG000XJ2(AGN-PC-0WD6E7) |
| Chemical Name | (2S)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate |
| IUPAC Name | methyl (2S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylate |
| InChI | InChI=1S/C14H18N2O4/c1-19-13(17)12-7-11(8-15-12)16-14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3,(H,16,18)/t11?,12-/m0/s1 |
| InChI Key | MDYGFJHMKWJTTE-KIYNQFGBSA-N |
| MDL Number | MFCD28101739 |
| Molecular Formula | C14H19ClN2O4 |
| Molecular Weight | 314.7647 |
| SMILES | COC(=O)[C@H]1NCC(C1)NC(=O)OCc1ccccc1 |
| Synonyms | 1279026-84-4,
(2S)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate,
MFCD28101739,
AKOS024262487,
FCH3616528,
AK158440,
AX8292223,
ST24034074,
ACN-029969,
L-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester,
L-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1), (4R)-,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.308g/mol |
| Monoisotopic Mass | 278.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number