| CAS Number | 161617-96-5 |
| Catalog Number | AG01A65Y(AGN-PC-0Q82FN) |
| Chemical Name | Ethyl 3-([(benzyloxy)carbonyl]amino)propanoate |
| IUPAC Name | ethyl 3-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C13H17NO4/c1-2-17-12(15)8-9-14-13(16)18-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16) |
| InChI Key | IFXFHOYJVRMTTO-UHFFFAOYSA-N |
| MDL Number | MFCD16242554 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | CCOC(CCNC(OCC1=CC=CC=C1)=O)=O |
| Synonyms | ethyl 3-{[(benzyloxy)carbonyl]amino}propanoate,
161617-96-5,
SCHEMBL3295121,
IFXFHOYJVRMTTO-UHFFFAOYSA-N,
ZINC38861116,
NE54177,
Ethyl 3-(benzyloxycarbonylamino)propionate,
ethyl 3-(benzyloxycarbonylamino)-propionate,
3-Benzyloxycarbonylamino-propionic acid ethyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.115758g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.28g/mol |
| Monoisotopic Mass | 251.115758g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number