| CAS Number | 1273566-86-1 |
| Catalog Number | AG00HROT(AGN-PC-0WG3T3) |
| Chemical Name | (R)-4-(tert-Butoxycarbonyl)-1,4-oxazepane-2-carboxylic acid |
| IUPAC Name | (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-6-16-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1 |
| InChI Key | YGITYLFOIAYYJU-MRVPVSSYSA-N |
| MDL Number | MFCD19442251 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | OC(=O)[C@@H]1OCCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | (R)-4-(TERT-BUTOXYCARBONYL)-1,4-OXAZEPANE-2-CARBOXYLIC ACID,
1273566-86-1,
MFCD19442251,
ZINC42684290,
AM805592,
AS-39750,
AJ-104505,
CS-0079174,
(R)-4-tert-butyloxycarbonyl-[1,4]oxazepane-2-carboxylic acid,
C11H19NO5,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number