284493-57-8
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID
Name3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID
1Identification
【Name】
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD02090699
【English Synonyms】
【Formula】
C15 H21 N O4
【MolWeight】
279.334
【Inchi】
InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
【InChIKey】
InChIKey=XICHKLMIOJEDAM-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)C(CC(=O)O)NC(=O)OC(C)(C)C
【MOL File】
3-[(TERT-BUTOXYCARBO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPANOIC ACID.cml