| CAS Number | 889953-47-3 |
| Catalog Number | AG00GT41(AGN-PC-079RUU) |
| Chemical Name | 3-(3-CARBOXY-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER |
| IUPAC Name | 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid |
| InChI | InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-5-4-10(8-14)15-6-9(7-15)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17) |
| InChI Key | HEQCPYIGHNGSPF-UHFFFAOYSA-N |
| MDL Number | MFCD06657441 |
| Molecular Formula | C13H22N2O4 |
| Molecular Weight | 270.3248 |
| SMILES | O=C(C1CN(C2CN(C(OC(C)(C)C)=O)CC2)C1)O |
| Synonyms | 889953-47-3,
1-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)azetidine-3-carboxylic acid,
3-(3-CARBOXY-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid,
1-[1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL]AZETIDINE-3-CARBOXYLIC ACID,
CTK7J0412,
DTXSID10660816,
MFCD06657441,
AKOS015841238,
AX8255691,
TC-067505,
FT-0655466,
A843042,
I11-0231,
1-(1-Boc-pyrrolidin-3-yl)azetidine-3-carboxylic acid,
3-(3-carboxyazetidin-1-yl)pyrrolidine-1-carboxylic acid tert-butyl ester,
1-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]-3-azetidinecarboxylic acid,
3- -PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER,
1-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)azetidine-3-carboxylicacid,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.329g/mol |
| Monoisotopic Mass | 270.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
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Certificate of Analysis
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