| CAS Number | 685508-28-5 |
| Catalog Number | AG00FFU1(AGN-PC-0TSWIA) |
| Chemical Name | Cis-2-Benzyloxycarbonylaminocyclobutanecarboxylic Acid |
| IUPAC Name | (1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C13H15NO4/c15-12(16)10-6-7-11(10)14-13(17)18-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11+/m1/s1 |
| InChI Key | ZNRUEEQIUVKKBL-MNOVXSKESA-N |
| MDL Number | MFCD03844615 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N[C@@H]1[C@@H](CC1)C(=O)O |
| Synonyms | 685508-28-5,
cis-2-Benzyloxycarbonylaminocyclobutanecarboxylic acid,
cis-2-Benzyloxycarbonylaminocyclobutane-carboxylic acid,
C13H15NO4,
MFCD03844615,
SCHEMBL3063260,
ZINC1767983,
AKOS025405466,
SB22198,
cis-2-(Bocamino)cyclobutanecarboxylic acid,
CS-0003935,
Y9821,
cis-2-(Cbz-amino)cyclobutane-1-carboxylic acid,
2beta-(Benzyloxycarbonylamino)cyclobutane-1beta-carboxylic acid,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.266g/mol |
| Monoisotopic Mass | 249.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number