| CAS Number | 1374673-93-4 |
| Catalog Number | AG0013B6(AGN-PC-0WNS5Z) |
| Chemical Name | 1-Pyrrolidinecarboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester, (2S)- |
| IUPAC Name | tert-butyl (2S)-2-methyl-4-oxopyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H17NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1 |
| InChI Key | ABBMDHUKQONVIE-ZETCQYMHSA-N |
| MDL Number | MFCD23381132 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | C[C@@H]1N(CC(C1)=O)C(=O)OC(C)(C)C |
| Synonyms | 1374673-93-4,
N-t-BOC-(S)-2-Methyl-4-Pyrrolidinone,
(S)-tert-butyl 2-Methyl-4-oxopyrrolidine-1-carboxylate,
tert-butyl (S)-2-methyl-4-oxopyrrolidine-1-carboxylate,
SCHEMBL17709944,
MFCD23381132,
ZINC91301464,
AKOS028110140,
FCH3535348,
OC-0622,
OR316081,
AJ-129678,
CS-0060756,
N-t-BOC-(S)-2-methyl-4-pyrrolidinone, AldrichCPR,
1-Pyrrolidinecarboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester, (2S)-,
(S)-tert-butyl2-Methyl-4-oxopyrrolidine-1-carboxylate,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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