| CAS Number | 854621-90-2 |
| Catalog Number | AG00G2Q0(AGN-PC-046VA1) |
| Chemical Name | 2-(4-((tert-Butoxycarbonyl)amino)benzamido)acetic acid |
| IUPAC Name | 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]acetic acid |
| InChI | InChI=1S/C14H18N2O5/c1-14(2,3)21-13(20)16-10-6-4-9(5-7-10)12(19)15-8-11(17)18/h4-7H,8H2,1-3H3,(H,15,19)(H,16,20)(H,17,18) |
| InChI Key | IJNIUQCEOZZTTR-UHFFFAOYSA-N |
| MDL Number | MFCD02682307 |
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.3031 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=C(C=C1)C(=O)NCC(=O)O |
| Synonyms | Boc-4-aminohippuric acid,
854621-90-2,
2-(4-((tert-Butoxycarbonyl)amino)benzamido)acetic acid,
SCHEMBL3486818,
CTK8F8258,
DTXSID20635338,
ZINC2583037,
0772AF,
AKOS000172133,
N-{4-[(tert-Butoxycarbonyl)amino]benzoyl}glycine,
({4-[(tert-butoxycarbonyl)amino]phenyl}formamido)acetic acid,
C14H18N2O5,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.307g/mol |
| Monoisotopic Mass | 294.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number