| CAS Number | 1154760-03-8 |
| Catalog Number | AG0099GV(AGN-PC-0WG3TQ) |
| Chemical Name | 2-(1-(tert-Butoxycarbonyl)-3-hydroxyazetidin-3-yl)acetic acid |
| IUPAC Name | 2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid |
| InChI | InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-10(15,6-11)4-7(12)13/h15H,4-6H2,1-3H3,(H,12,13) |
| InChI Key | ZIMRMQDBEWKPRQ-UHFFFAOYSA-N |
| MDL Number | MFCD24465632 |
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.2457 |
| SMILES | O=C(O)CC1(O)CN(C(OC(C)(C)C)=O)C1 |
| Synonyms | 1154760-03-8,
2-(1-(tert-Butoxycarbonyl)-3-hydroxyazetidin-3-yl)acetic acid,
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid,
SCHEMBL570830,
ZIMRMQDBEWKPRQ-UHFFFAOYSA-N,
MFCD24465632,
ZINC95740503,
AKOS027255311,
AS-39826,
CS-0035986,
FT-0731448,
2-(N-Boc-3-hydroxy-azetidin-3-yl)-acetic acid,
2-(N-Boc-3-hydroxy -azetidin-3-yl)-acetic acid,
[1-(tert-butoxycarbonyl)-3-hydroxyazetidin-3-yl]acetic acid,
2-(N-tert-butoxycarbonyl-3-hydroxyazetidin-3-yl)acetic acid,
2-{1-[(tert-butoxy)carbonyl]-3-hydroxyazetidin-3-yl}acetic acid,
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| Complexity | 301 |
| 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 | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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