AG00BDF4

218916-64-4 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy- (9CI)

AG00BDF4

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CAS Number	218916-64-4
Catalog Number	AG00BDF4(AGN-PC-005KAJ)
Chemical Name	Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy- (9CI)
IUPAC Name	2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChI Key	JJCAYTVAYSGVLA-UHFFFAOYSA-N
MDL Number	MFCD08275906
Molecular Formula	C8H15NO5
Molecular Weight	205.2084
SMILES	CC(C)(C)OC(=O)NCC(O)C(O)=O
Synonyms	218916-64-4, 3-((tert-Butoxycarbonyl)amino)-2-hydroxypropanoic acid, 3-Amino-N-Boc-2-hydroxy-propionic acid, 3-(BOC-AMINO)-2-HYDROXYPROPANOIC ACID, 3-tert-butoxycarbonylamino-2-hydroxy-propionic acid, 3-[(tert-butoxycarbonyl)amino]-2-hydroxypropanoic acid, N-tert-butoxycarbonyl-isoserine, SCHEMBL1186668, (2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, CTK8B9928, KS-00000GZB, DTXSID70514043, JJCAYTVAYSGVLA-UHFFFAOYSA-N, 1086AB, ANW-63630, Boc-3-amino-2-hydroxypropionic acid, MFCD08275906, AKOS015152168, Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy- (9CI), VZ26191, 3-Amino-n-boc-2-hydroxy-propanoic acid, AK-78969, AK-89594, DS-17532, SY238689, TC-152375, FT-0691702, MFCD08275906 (95%), 2-Hydroxy-3-(tert-butoxycarbonylamino)propionic acid, 3-{[(tert-butoxy)carbonyl]amino}-2-hydroxypropanoic acid, 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-propanoic acid, Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, Propanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, C8H15NO5, Propanoicacid,3-[[ carbonyl]amino]-2-hydroxy-, (S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxypropanoic acid, 52558-24-4, 3-tert-Butoxycarbonylamino-(S)-2-hydroxy-propionic acid, (S)-3-(tert-Butyloxycarbonylamino)-2-hydroxypropionicacid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	205.21g/mol
Monoisotopic Mass	205.095g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number