| CAS Number | 1158759-58-0 |
| Catalog Number | AG000H0T(AGN-PC-0WCKAR) |
| Chemical Name | 3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-3-azetidinecarboxylic acid |
| IUPAC Name | 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-6-10(7(13)14)4-11-5-10/h11H,4-6H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | HYFXFPLCIOWZCR-UHFFFAOYSA-N |
| MDL Number | MFCD22566171 |
| Molecular Formula | C10H18N2O4 |
| Molecular Weight | 230.2609 |
| SMILES | CC(C)(OC(=O)NCC1(CNC1)C(=O)O)C |
| Synonyms | 1158759-58-0,
3-(((tert-Butoxycarbonyl)amino)methyl)azetidine-3-carboxylic acid,
3-({[(tert-butoxy)carbonyl]amino}methyl)azetidine-3-carboxylic acid,
3-Azetidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-,
KS-000006YS,
MFCD22566171,
ZINC95708092,
FCH2891647,
AK172225,
AS-34451,
CS-0051775,
Q-3363,
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidine-3-carboxylic acid,
3-(BOC-AMINOMETHYL)AZETIDINE-3-CARBOXYLIC ACID,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.264g/mol |
| Monoisotopic Mass | 230.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number