AG004WT2

851484-94-1 | 1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

AG004WT2

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CAS Number	851484-94-1
Catalog Number	AG004WT2(AGN-PC-0UY58F)
Chemical Name	1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
IUPAC Name	4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)
InChI Key	ISEHHCOIDMZBSU-UHFFFAOYSA-N
MDL Number	MFCD01631857
Molecular Formula	C17H23NO5
Molecular Weight	321.3682
SMILES	O=C(C1CN(C(OC(C)(C)C)=O)CC1C2=CC=C(OC)C=C2)O
Synonyms	851484-94-1, 1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, 4-(4-Methoxy-Phenyl)-Pyrrolidine-1,3-Dicarboxylic Acid 1-Tert-Butyl Ester, 4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic Acid, AK130476, 1000415-75-7, 4-(4'-methoxy)phenyl-3-carboxy-1-boc-pyrrolidine, 1-[(tert-butoxy)carbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, trans-1-Boc-3-carboxy-4-(4-methoxyphenyl)pyrrolidine, AC1MVD4Y, SCHEMBL6309437, CTK5F4308, DTXSID40395306, 1-[(tert-Butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, ZX-AV000237, MFCD01631857, AKOS016842710, DS-1971, MP-1524, AC-29414, AM807941, QC-10103, AB0049562, AX8035120, ST2415117, 4CH-002058, Z5191, 1-boc-4-(4-methoxyphenyl)-3-carboxypyrrolidine, A841206, 1-[(tert-butyl)oxycarbonyl]-4-(4-methoxyphenyl)pyrroline-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylicacid, 4-(4-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester, 4-(4-Methoxyphenyl)-1,3-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester, 4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid, (3R,4S)-4-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, C17H23NO5, CID3705956, (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, 1-(tert-Butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid, 1269260-00-5, 85107-53-5,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.158g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	321.373g/mol
Monoisotopic Mass	321.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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