3-[(Benzyloxy)amino]-N-[(benzyloxy)carbonyl]-D,L-alanine - CAS 96521-76-5
Catalog: |
BB073608 |
Product Name: |
3-[(Benzyloxy)amino]-N-[(benzyloxy)carbonyl]-D,L-alanine |
CAS: |
96521-76-5 |
Synonyms: |
3-[(Phenylmethoxy)amino]-N-[(phenylmethoxy)carbonyl]alanine |
IUPAC Name: | 3-(phenylmethoxyamino)-2-(phenylmethoxycarbonylamino)propanoic acid |
Description: | Intermediate for synthesis of D,L-Alanosine. |
Molecular Weight: | 344.36 |
Molecular Formula: | C18H20N2O |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC(CNOCC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C18H20N2O5/c21-17(22)16(11-19-25-13-15-9-5-2-6-10-15)20-18(23)24-12-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,20,23)(H,21,22) |
InChI Key: | YEJVEYKTTRBOEA-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate, Methanol |
Appearance: | White Solid |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 344.13722174 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 344.13722174 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 96.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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