AG00G3MB

856417-64-6 | 2-(Tert-Butoxycarbonylamino)-4-Methoxy-4-Oxobutanoic Acid

AG00G3MB

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CAS Number	856417-64-6
Catalog Number	AG00G3MB(AGN-PC-0WA4VH)
Chemical Name	2-(Tert-Butoxycarbonylamino)-4-Methoxy-4-Oxobutanoic Acid
IUPAC Name	4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI	InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)
InChI Key	WFPSMPYVXFVVFA-UHFFFAOYSA-N
MDL Number	MFCD16619508
Molecular Formula	C10H17NO6
Molecular Weight	247.2451
SMILES	O=C(O)C(NC(OC(C)(C)C)=O)CC(OC)=O
Synonyms	856417-64-6, 2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid, 2-(tert-butoxycarbonylamino)-4-methoxy-4-oxobutanoic acid, Boc-D-Asp(OMe)-OH, 2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid, 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid, SCHEMBL344763, 2-(tert-butoxycarbonyl)-4-methoxy-4-oxobutanoic acid, AC1N302L, CTK8J5204, DTXSID80399368, WFPSMPYVXFVVFA-UHFFFAOYSA-N, BCP14391, CS-M1479, KS-000011GQ, MFCD16619508, AKOS016009864, MCULE-1246383267, MP-0987, RL05298, AK-48377, AK-55408, AK113557, AS-33252, SY014840, AB0068811, 4CH-009025, 4CH-016742, 4CH-017776, AM20100458, ST24027419, Z5195, MFCD00078971 (98%), A26608, I04-0368, J-506606, 2-tert-butoxycarbonylamino-succinic acid 4-methyl ester, Boc-Asp(OMe)-OH, Boc-L-aspartic acid 4-methyl ester, C10H17NO6, CID4104742, 59768-74-0, 124184-67-4, (R)-2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid, (S)-2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid, 2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoicacid, 4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-butanoic Acid,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.106g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.247g/mol
Monoisotopic Mass	247.106g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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