| CAS Number | 1221715-78-1 |
| Catalog Number | AG0016VB(AGN-PC-0WA25C) |
| Chemical Name | 2-(3-((tert-Butoxycarbonyl)amino)oxetan-3-yl)acetic acid |
| IUPAC Name | 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]acetic acid |
| InChI | InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(4-7(12)13)5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13) |
| InChI Key | LOZJYPJBCJFSBL-UHFFFAOYSA-N |
| MDL Number | MFCD16140246 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | C(C)(C)(C)OC(=O)NC1(COC1)CC(=O)O |
| Synonyms | 1221715-78-1,
2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID,
(3-TERT-BUTOXYCARBONYLAMINO-OXETAN-3-YL)ACETIC ACID,
2-(3-{[(tert-butoxy)carbonyl]amino}oxetan-3-yl)acetic acid,
DTXSID40703907,
KS-000007TK,
MFCD16140246,
ZINC66309194,
AKOS025291243,
AS-41702,
CS-0052289,
(3-tert-Butoxycarbonylamino-oxetan-3-yl)-acetic acid,
{3-[(tert-Butoxycarbonyl)amino]oxetan-3-yl}acetic acid,
2-[3-(tert-Butoxycarbonylamino)oxetan-3-yl]acetic acid,
F2147-8590,
3-Oxetaneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]acetic acid,
(3-tert-Butoxycarbonylamino-oxetan-,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.248g/mol |
| Monoisotopic Mass | 231.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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