| CAS Number | 885271-17-0 |
| Catalog Number | AG00484P(AGN-PC-0BS6S1) |
| Chemical Name | 3-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)propanoic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid |
| InChI | InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-6-9(8-13)4-5-10(14)15/h9H,4-8H2,1-3H3,(H,14,15) |
| InChI Key | MBHLTXJJVQMUHJ-UHFFFAOYSA-N |
| MDL Number | MFCD08234795 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | O=C(O)CCC1CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 885271-17-0,
3-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)propanoic acid,
3-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}propanoic acid,
3-[1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL]PROPANOIC ACID,
SCHEMBL11473238,
CTK3E6767,
DTXSID30721059,
1-Boc-3-pyrrolidinepropanoic acid,
4180AC,
AKOS016010353,
NE30099,
BC262026,
3-Pyrrolidinepropanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]-,
C12H21NO4,
3-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)propanoicacid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number