| CAS Number | 264235-79-2 |
| Catalog Number | AG002T6A(AGN-PC-0WCYNC) |
| Chemical Name | (R)-Ethyl 3-amino-2-(cbz-amino)propanoate HCl |
| IUPAC Name | ethyl (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;hydrochloride |
| InChI | InChI=1S/C13H18N2O4.ClH/c1-2-18-12(16)11(8-14)15-13(17)19-9-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,14H2,1H3,(H,15,17);1H/t11-;/m1./s1 |
| InChI Key | WFFNRMTWMDBKDZ-RFVHGSKJSA-N |
| MDL Number | MFCD22573660 |
| Molecular Formula | C13H19ClN2O4 |
| Molecular Weight | 302.7540 |
| SMILES | O=C(OCC)[C@H](NC(OCC1=CC=CC=C1)=O)CN.[H]Cl |
| Synonyms | 264235-79-2,
(R)-ETHYL 3-AMINO-2-(CBZ-AMINO)PROPANOATE HCL,
(R)-Ethyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate hydrochloride,
AS-36961,
AX8266729,
X-3834,
D-Alanine, 3-amino-N-[(phenylmethoxy)carbonyl]-, ethyl ester, monohydrochloride (9CI),
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.103335g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.75g/mol |
| Monoisotopic Mass | 302.103335g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 90.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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