| CAS Number | 887587-09-9 |
| Catalog Number | AG00IFFZ(AGN-PC-09OT5U) |
| Chemical Name | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-5-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14) |
| InChI Key | DTLBJDMWGRKALK-UHFFFAOYSA-N |
| MDL Number | MFCD15071411 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | O=C(C1(C)CN(C(OC(C)(C)C)=O)CC1)O |
| Synonyms | 887587-09-9,
1-(TERT-BUTOXYCARBONYL)-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID,
1-[(tert-butoxy)carbonyl]-3-methylpyrrolidine-3-carboxylic acid,
1-BOC-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID,
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid,
SCHEMBL2285992,
DTXSID80693156,
DTLBJDMWGRKALK-UHFFFAOYSA-N,
KS-000006VZ,
MFCD15071411,
AKOS012442274,
DS-7394,
MCULE-4139773428,
PB22727,
AK153154,
CS-0035471,
Q-1518,
Z1347572769,
1-tert-Butoxycarbonyl-3-methyl-pyrrolidine-3-carboxylic acid,
3-Methylpyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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