222987-24-8
4-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL)BENZOIC ACID
Name4-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL)BENZOIC ACID
1Identification
【Name】
4-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD03701259
【English Synonyms】
【Formula】
C16 H21 N O4
【MolWeight】
291.345
【Inchi】
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-8-13(10-17)11-4-6-12(7-5-11)14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=QVNMWXVQUZCEFO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(C1)c2ccc(cc2)C(=O)O
【MOL File】
4-(1-(TERT-BUTOXYCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-3-YL)BENZOIC ACID.cml