AG00G2X7

74844-93-2 | (S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

AG00G2X7

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CAS Number	74844-93-2
Catalog Number	AG00G2X7(AGN-PC-0U67BN)
Chemical Name	(S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
IUPAC Name	1-O-tert-butyl 2-O-methyl (2S)-2,5-dihydropyrrole-1,2-dicarboxylate
InChI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1
InChI Key	YDQDZLXTPXNOKO-QMMMGPOBSA-N
MDL Number	MFCD00080341
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C(N1[C@H](C(OC)=O)C=CC1)OC(C)(C)C
Synonyms	74844-93-2, Methyl n-boc-l-proline-3-ene, (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate, (S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester, Methyl-N-Boc-L-Proline-3-ene, 1-TERT-BUTYL 2-METHYL (2S)-2,5-DIHYDRO-1H-PYRROLE-1,2-DICARBOXYLATE, N-Boc-L-proline-3-ene, Boc-3,4-dehydro-Pro-OMe, SCHEMBL2559556, CTK6I6289, DTXSID90439628, YDQDZLXTPXNOKO-QMMMGPOBSA-N, ACT02246, KM1645, MFCD00080341, ZINC16698087, AKOS015850999, AKOS016010241, AJ-69466, AS-38043, SC-14353, AB0076689, AX8139529, TX-012447, Z5966, A26759, 1-(tert-Butoxycarbonyl)-3,4-didehydroproline methyl ester, (S)-2,5-DIHYDRO-PYRROLE-1,2-DICARBOXYLIC ACID 1-TE, (S)-1-tert-butyl 2-methyl 1H-pyrrole-1, 2(2H, 5H)-dicarboxylate, (S)-1-tert-butyl 2-methyl 1H-pyrrole-1,2(2H, 5H)-dicarboxylate, (S)-2,5-dihydropyrrole-1,2-dicarboxylic Acid 1-tert-butyl ester 2-methyl ester, C11H17NO4, METHYLN-BOC-L-PROLINE-3-ENE, CID10421270, N-Boc-3,4-dehydro-L-proline methylester, Tert-butyl Methyl 2,5-dihydropyrrole-1,2-dicarboxylate, (S)-1-tert-Butyl2-methyl1H-pyrrole-1,2(2H,5H)-dicarboxylate,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	227.116g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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