515174-07-9
1-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,3R)-
Name1-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,3R)-
1Identification
【Name】
1-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,3R)-
【CAS】
【MDL】
MFCD18071952
【English Synonyms】
【Formula】
C11 H21 N O3
【MolWeight】
215.291
【Inchi】
InChI=1S/C11H21NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
【InChIKey】
InChIKey=FPUBEXOAVGKKCY-RKDXNWHRSA-N
【SMILES】
C[C@@H]1CCN([C@@H]1CO)C(=O)OC(C)(C)C
【MOL File】
1-PYRROLIDINECARBOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PYRROLIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S,3R)-.cml