137452-49-4
(2S)-3-[4-(AMINOMETHYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
Name(2S)-3-[4-(AMINOMETHYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
1Identification
【Name】
(2S)-3-[4-(AMINOMETHYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
【CAS】
【MDL】
MFCD01318277
【English Synonyms】
【Formula】
C15 H22 N2 O4
【MolWeight】
294.349
【Inchi】
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
【InChIKey】
InChIKey=SRHQPVLBHXDZGC-LBPRGKRZSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)CN)C(=O)O
【MOL File】
(2S)-3-[4-(AMINOMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S)-3-[4-(AMINOMETHYL)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID.cml