AG002EVN

190897-47-3 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2S)-

AG002EVN

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CAS Number	190897-47-3
Catalog Number	AG002EVN(AGN-PC-0QK2MN)
Chemical Name	Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2S)-
IUPAC Name	(2S)-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)/t6-/m0/s1
InChI Key	GDQRNRYMFXDGMS-LURJTMIESA-N
MDL Number	MFCD04040045
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	C(C)(C)(C)OC(=O)NC[C@@H](C(=O)O)C
Synonyms	190897-47-3, (S)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid, (S)-3-(Boc-amino)-2-methylpropionic acid, BOC-S-3-AMINOISOBUTYRIC ACID, (2S)-3-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoic acid, (S)-3-TERT-BUTOXYCARBONYLAMINO-2-METHYL-PROPIONIC ACID, (S)-N-T-BUTYLOXYCARBONYL-3-AMINO-2-METHYL PROPIONIC ACID, (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (S)-Boc-b2-HomoAla-OH, BOC-(S)-3-AMINO-2-METHYLPROPANOIC ACID, (S)-Boc-|A2-Homoala-OH, SCHEMBL4740872, CTK5J1661, KS-00000KEV, DTXSID20476389, ZINC2389504, 9922AA, ANW-63291, MFCD04040045, (S)-3-(N-Boc-Amino)isobutyric acid, AKOS015893066, AB17477, CB-3711, GS-0809, AJ-35594, SC-10098, TC-152036, FT-0694669, A-8164, I04-1461, (S)-3-(tert-Butoxycarbonylamino)-2-methylpropionic acid, (2S)-3-(tert-butoxycarbonylamino)-2-methyl-propanoic acid, (2S)-3-(tert-butoxycarbonylamino)-2-methyl-propionic acid, (2S)-3-[(tert-Butoxycarbonyl)amino]-2-methylpropanoic acid, (S)-3-(Boc-amino)-2-methylpropionic acid, >=98.0% (TLC), (2S)-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2S)-, Propanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2S)-, C9H17NO4, (R)-3-(Boc-amino)-2-methylpropionic acid, Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2S)- (9CI),

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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