AG001DAH

145681-01-2 | 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester

AG001DAH

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CAS Number	145681-01-2
Catalog Number	AG001DAH(AGN-PC-00ASRX)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
IUPAC Name	1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3
InChI Key	WVDGSSCWFMSRHN-UHFFFAOYSA-N
MDL Number	MFCD03762834
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
NSC Number	697381
SMILES	O=C(N1C(C(OC)=O)CCC1)OC(C)(C)C
Synonyms	145681-01-2, 1-tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate, Methyl 1-Boc-2-pyrrolidinecarboxylate, Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester, Boc-Pro-OMe, 1-Boc-L-proline Methyl Ester, NSC697381, 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, METHYL N-BOC-PYRROLIDINE-2-CARBOXYLATE, O1-tert-butyl O2-methyl pyrrolidine-1,2-dicarboxylate, ACMC-1B1XJ, AC1L97OD, AC1Q1N3Z, SCHEMBL190042, CHEMBL2001025, CTK0B2583, DTXSID60327861, WVDGSSCWFMSRHN-UHFFFAOYSA-N, BCP22982, KS-00000E0G, AB3474, Methyl1-Boc-2-pyrrolidinecarboxylate, MFCD03762834, AKOS008902048, AC-1257, MCULE-8005903846, NSC-697381, RP07458, TRA0086196, AK-39021, AK-39023, AK-75814, AN-15084, BC204336, DS-15929, NCI60_034719, SC-65168, SY006303, SY021099, SY021485, AB0058674, ST2403503, TC-183307, 4CH-013611, 4CH-018401, AM20080347, CS-0008676, FT-0685011, MFCD00190828 (95%), MFCD01075092 (96%), MFCD03762834 (95%), A26496, Q-9188, 1-tert-Butyl 2-methyl 1,2-pyrrolidinedicarboxylate, 1-tert-butyl-2-methylpyrrolidine-1,2-dicarboxylate, pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl est, W-205626, Z16045904, 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate, Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl 2-methyl ester, N-tert-Butoxycarbonyl-D- Proline methyl ester;(R)-1-tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate, Boc-D-Pro-Ome, Boc-L-Pro-Ome, Boc-L-Proline-methyl ester, boc-d-proline methyl ester, N-Boc-D-proline methyl ester, 59936-29-7, AR-1C5632, CID394147, 73323-65-6, (R)-1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate, 1-tert-butyl 2-methylpyrrolidine-1,2-dicarboxylate, (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, 60397-49-1,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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