306936-27-6
1-(N-TERT-BUTOXYCARBONYLAMINOETHYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID
Name1-(N-TERT-BUTOXYCARBONYLAMINOETHYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(N-TERT-BUTOXYCARBONYLAMINOETHYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01567245
【English Synonyms】
【Formula】
C19 H24 N2 O4
【MolWeight】
344.409
【Inchi】
InChI=1S/C19H24N2O4/c1-13-15(17(22)23)12-16(14-8-6-5-7-9-14)21(13)11-10-20-18(24)25-19(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,20,24)(H,22,23)
【InChIKey】
InChIKey=RUFAECVCTWTIRV-UHFFFAOYSA-N
【SMILES】
Cc1c(cc(n1CCNC(=O)OC(C)(C)C)c2ccccc2)C(=O)O
【MOL File】
1-(N-TERT-BUTOXYCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(N-TERT-BUTOXYCARBONYLAMINOETHYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID.cml