| CAS Number | 946761-08-6 |
| Catalog Number | AG00IIG0(AGN-PC-0WBODC) |
| Chemical Name | (4-boc-amino-tetrahydrothiopyran-4-yl)-acetic acid |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thian-4-yl]acetic acid |
| InChI | InChI=1S/C12H21NO4S/c1-11(2,3)17-10(16)13-12(8-9(14)15)4-6-18-7-5-12/h4-8H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | OYPLUWVUSWPNPN-UHFFFAOYSA-N |
| MDL Number | MFCD09264197 |
| Molecular Formula | C12H21NO4S |
| Molecular Weight | 275.3644 |
| SMILES | CC(OC(NC1(CCSCC1)CC(O)=O)=O)(C)C |
| Synonyms | 946761-08-6,
(4-BOC-AMINO-TETRAHYDROTHIOPYRAN-4-YL)-ACETIC ACID,
(4-Boc-amino-tetrahydrothiopyran-4-yl)acetic acid,
ZX-AT012854,
4293AH,
KM3304,
MFCD09264197,
OR2671,
ZINC14632726,
AKOS025404058,
AS-47965,
{4-[(tert-butoxycarbonyl)amino]thian-4-yl}acetic acid,
[4-Amino(tetrahydro-2H-thiopyran-4-yl)]acetic acid, N-BOC protected,
C12H21NO4S,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.363g/mol |
| Monoisotopic Mass | 275.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number