AG0033SG

77716-11-1 | 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid

AG0033SG

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CAS Number	77716-11-1
Catalog Number	AG0033SG(AGN-PC-0KK78M)
Chemical Name	4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid
IUPAC Name	1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
InChI	InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChI Key	GOLAEMFBWAIGRX-UHFFFAOYSA-N
MDL Number	MFCD02094544
Molecular Formula	C11H16N2O4
Molecular Weight	240.2557
SMILES	O=C(OC(C)(C)C)Nc1cn(c(c1)C(=O)O)C
Synonyms	77716-11-1, 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(tert-butoxycarbonyl)amino]-1-methyl-1h-pyrrole-2-carboxylic acid, 4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid, 4-(boc-amino)-1-methyl-1h-pyrrole-2-carboxylic acid, AK117172, 4-[(tert-butoxycarbonyl)amino]-1-methylpyrrole-2-carboxylic acid, 4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2 carboxylic acid, 4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2carboxylicacid, 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid, 4-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylic acid, Maybridge1_008798, 4-[(tert-butoxy)carbonylamino]-1-methylpyrrole-2-carboxylic acid, boc-py-oh, AC1MC3RJ, ACMC-1BHZ9, Oprea1_532277, boc-nh(4)-mepyl-(2)-oh, SCHEMBL1845748, CTK2H6944, HMS566H20, DTXSID10370847, GOLAEMFBWAIGRX-UHFFFAOYSA-N, ZINC128558, 4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2carboxylic acid, KS-000019KB, ZX-AT017480, 4-[(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylicacid, CCG-52621, MFCD02094544, OR8042, SBB053096, AKOS015850634, AC-8259, AN-8195, CS-W012807, FCH1617751, MCULE-5318520907, RP28425, TRA0070181, AJ-12017, TS-00713, AB0032896, AX8001864, TC-064469, A9820, FT-0617323, ST50949616, X6332, 1-methyl-4-(BOC amino)pyrrole-2-carboxylic acid, 716B111, I11-0306, J-515998, SR-01000641841-1, BRD-K37450091-001-01-7, 4-(tert-butoxycarbonyl)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(t-butoxycarbonyl)amino]-1-methylpyrrole-2-carboxylic acid, 4-[(tert-Butoxycarbonyl)amino]-2-carboxy-1-methyl-1H-pyrrole, 1-Methyl-4-(tert-butoxycarbonylamino)-1H-pyrrole-2-carboxylic acid, 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid, >=99.0% (HPLC), 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylic acid, 4-[(tert-Butoxycarbonyl)amino]-1-methylpyrrole-2carboxylic acid, 4-amino-1-methyl-1h-pyrrole-2-carboxylic acid, 4-boc protected, 4-[[(tert-Butyloxy)carbonyl]- amino]-1-methylpyrrole-2-carboxylic acid, 4-[[(tert-Butyloxy)carbonyl]-amino]-1-methylpyrrole-2-carboxylic acid, 1H-Pyrrole-2-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, C11H16N2O4, CB10591, CID2735636, A2642, BOC-4-AMINO-1-METHYLPYRROLE-2-CARBOXYLIC ACID, Boc-4-amino-1-methylpyrrole-2-carboxylic acid, 98% - 1G 1g, 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylicacid, 126092-98-6, 4-[(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.111g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.259g/mol
Monoisotopic Mass	240.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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