AG00APDD

16948-10-0 | Boc-DL-3-Aminoisobutyric acid

AG00APDD

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CAS Number	16948-10-0
Catalog Number	AG00APDD(AGN-PC-0Q9G50)
Chemical Name	Boc-DL-3-Aminoisobutyric acid
IUPAC Name	2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChI Key	GDQRNRYMFXDGMS-UHFFFAOYSA-N
MDL Number	MFCD02094137
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	O=C(O)C(C)CNC(OC(C)(C)C)=O
Synonyms	16948-10-0, 3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid, Boc-DL-3-Aminoisobutyric acid, 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 3-(Tert-butoxycarbonylamino)-2-methylpropionic acid, 3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoic acid, 3-(BOC-AMINO)-2-METHYLPROPANOIC ACID, 3-(tert-butoxycarbonylamino)-2-methyl-propanoic acid, AK-57904, 3-Boc-Amino-2-methylpropanoic acid, boc-dL-beta-aib-OH, ACMC-20a7wy, ACMC-20a9jh, AC1N5BX0, SCHEMBL288557, (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, CTK0H3810, KS-00000KDW, DTXSID70400614, GDQRNRYMFXDGMS-UHFFFAOYSA-N, AA148, 8684AA, ANW-61850, MFCD02094137, 3-Boc-Amino-2-methyl-propionic acid, AKOS011971375, CS-W021749, n-boc-alpha-(r,s)-methyl-beta-alanine, AK-63452, AK-87761, AN-30295, AN-32162, BP-13381, DS-15269, SC-10096, AB0074027, N-(t-butoxycarbonyl)-2-methyl-beta-alanine, TR-007410, FT-0679749, ST24041338, Z-1436, 3-tert-Butoxycarbonylamino-2-methyl-propionic acid, 2-Methyl-3-(tert-butoxycarbonylamino)propanoic acid, 3-[(tert-Butoxycarbonyl)amino]-2-methylpropionic acid, I14-37370, Z2065464296, Propanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (+/-)-2-Methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, C9H17NO4, CID4192640, (R)-3-((tert-butoxycarbonyl)amino)-2-methylpropanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid, 132696-45-8, 190897-47-3, 3-((tert-Butoxycarbonyl)amino)-2-methylpropanoicacid, (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

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

Lot Number