791625-57-5
(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLORO-2-METHYLPHENYL)PROPANOIC ACID
Name(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLORO-2-METHYLPHENYL)PROPANOIC ACID
1Identification
【Name】
(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLORO-2-METHYLPHENYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD10565773
【English Synonyms】
【Formula】
C15 H20 Cl N O4
【MolWeight】
313.779
【Inchi】
InChI=1S/C15H20ClNO4/c1-9-7-11(16)6-5-10(9)8-12(13(18)19)17-14(20)21-15(2,3)4/h5-7,12H,8H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
【InChIKey】
InChIKey=AIDMNMJGXULKBL-GFCCVEGCSA-N
【SMILES】
Cc1cc(ccc1C[C@H](C(=O)O)NC(=O)OC(C)(C)C)Cl
【MOL File】
(2R)-2-[(TERT-BUTOXY….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
(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-CHLORO-2-METHYLPHENYL)PROPANOIC ACID.cml