| CAS Number | 170097-85-5 |
| Catalog Number | AG00ANKR(AGN-PC-0WALT1) |
| Chemical Name | (R)-3-Carboxymethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | 2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-8(6-12)16-7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1 |
| InChI Key | MUEXFKAYCPIYPF-MRVPVSSYSA-N |
| MDL Number | MFCD11858555 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | CC(OC(N1C[C@H](OCC(O)=O)CC1)=O)(C)C |
| Synonyms | 170097-85-5,
(R)-1-Boc-3-carboxymethoxy-pyrrolidine,
(R)-3-Carboxymethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester,
(R)-1-Boc-3-carboxymethoxypyrrolid ine,
SCHEMBL4176800,
DTXSID40652744,
8942AH,
ZINC23508832,
AKOS017342967,
NE63865,
(R)-3-(Carboxymethoxy)-1-pyrrolidinecarboxylic acid 1-(1,1-dimethylethyl)ester,
AJ-81743,
AM100351,
DB-031430,
FT-0770637,
{[(3R)-1-(tert-Butoxycarbonyl)pyrrolidin-3-yl]oxy}acetic acid,
(R)-2-((1-(tert-butoxycarbonyl)pyrrolidin-3-yl)oxy)acetic acid,
2-{[(3R)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl]oxy}acetic acid,
C11H19NO5,
|
| 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 | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number