851722-08-2
1-(2-[(4-METHYLPHENYL)AMINO]-2-OXOETHYL)CYCLOPENTANECARBOXYLIC ACID
Name1-(2-[(4-METHYLPHENYL)AMINO]-2-OXOETHYL)CYCLOPENTANECARBOXYLIC ACID
1Identification
【Name】
1-(2-[(4-METHYLPHENYL)AMINO]-2-OXOETHYL)CYCLOPENTANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD06382873
【English Synonyms】
【Formula】
C15 H19 N O3
【MolWeight】
261.319
【Inchi】
InChI=1S/C15H19NO3/c1-11-4-6-12(7-5-11)16-13(17)10-15(14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=ZZWGUDYANPFSHY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CC2(CCCC2)C(=O)O
【MOL File】
1-(2-[(4-METHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-[(4-METHYLPHENYL)AMINO]-2-OXOETHYL)CYCLOPENTANECARBOXYLIC ACID.cml