794582-37-9
([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOYL]AMINO)ACETIC ACID
Name([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOYL]AMINO)ACETIC ACID
1Identification
【Name】
([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOYL]AMINO)ACETIC ACID
【CAS】
【MDL】
MFCD06368072
【English Synonyms】
【Formula】
C15 H16 N2 O3
【MolWeight】
272.302
【Inchi】
InChI=1S/C15H16N2O3/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)15(20)16-9-14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
【InChIKey】
InChIKey=RZJNLLRJLBSDKO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(n1c2ccc(cc2)C(=O)NCC(=O)O)C
【MOL File】
([4-(2,5-DIMETHYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOYL]AMINO)ACETIC ACID.cml