595547-27-6
1,3-PYRROLIDINEDICARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER, (3S,4S)-
Name1,3-PYRROLIDINEDICARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER, (3S,4S)-
1Identification
【Name】
1,3-PYRROLIDINEDICARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER, (3S,4S)-
【CAS】
【MDL】
MFCD18071954
【English Synonyms】
【Formula】
C13 H23 N O5
【MolWeight】
273.327
【Inchi】
InChI=1S/C13H23NO5/c1-5-18-11(16)10-7-14(6-9(10)8-15)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3/t9-,10+/m0/s1
【InChIKey】
InChIKey=FGWPJHBNKZAGQO-VHSXEESVSA-N
【SMILES】
CCOC(=O)[C@@H]1CN(C[C@H]1CO)C(=O)OC(C)(C)C
【MOL File】
1,3-PYRROLIDINEDICAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-PYRROLIDINEDICARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER, (3S,4S)-.cml