AG0036G7

79777-82-5 | Boc-beta-t-butyl-l-alanine

AG0036G7

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CAS Number	79777-82-5
Catalog Number	AG0036G7(AGN-PC-0OIACU)
Chemical Name	Boc-beta-t-butyl-l-alanine
IUPAC Name	(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChI Key	PUQVQDMFCAGQQB-QMMMGPOBSA-N
MDL Number	MFCD00237540
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	CC(C)(C)C[C@@H](C(O)=O)NC(OC(C)(C)C)=O
Synonyms	79777-82-5, Boc-Beta-T-Butyl-L-Alanine, BOC,TBU-BETA-ALA-OH, (S)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid, (S)-2-(tert-Butoxycarbonylamino)-4,4-dimethylpentanoic acid, Boc-L-Neopentylglycine, Boc-b-tert-butyl-L-alanine, PUQVQDMFCAGQQB-QMMMGPOBSA-N, Boc-Ala(tBu)-OH, SCHEMBL66302, Boc-beta-tert-butyl-L-alanine, ZINC2560853, KM1997, AKOS015836600, AKOS015907799, FCH1620249, AK325586, AS-68923, SC-87845, N-(Tert-Butoxycarbonyl)-L-neopentylglycine, Boc-Neopentylgly-OH, Boc-gamma-Me-Leu-OH, N-(tert-Butoxycarbonyl)-4-methyl-L-leucine, TR-025304, CS-0011690, FT-0679741, N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-L-leucine, N-alpha-(t-Butoxycarbonyl)-beta-(t-butyl)-L-alanine, (2s)-tert-butoxycarbonylamino-4,4-dimethylpentanoic acid, (S)-2-tert-butoxycarbonylamino-4,4-dimethyl-pentanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4,4-dimethylpentanoic acid, AC1MBSEG, AC1Q1LS1, ACN-036771, CID2755926, Boc-beta-tert-butyl-L-alanine, 99% - 1G 1g, I14-26436, (2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-4,4-dimethylpentanoic acid, 4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic Acid,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	245.162708g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.32g/mol
Monoisotopic Mass	245.162708g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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