AG002PS2

248924-39-2 | 3-([(tert-Butoxy)carbonyl]amino)-4-methylpentanoic acid

AG002PS2

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CAS Number	248924-39-2
Catalog Number	AG002PS2(AGN-PC-0KKOPA)
Chemical Name	3-([(tert-Butoxy)carbonyl]amino)-4-methylpentanoic acid
IUPAC Name	4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChI Key	LUXMZCJCTUATDM-UHFFFAOYSA-N
MDL Number	MFCD02258127
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	CC(C)C(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	248924-39-2, BOC-DL-BETA-LEUCINE, 3-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid, 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic Acid, 3-tert-Butoxycarbonylamino-4-methyl-pentanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid, Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, N-Boc-(+/-)-3-amino-4-methyl-pentanoic acid, 3-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid, Boc-Beta-Homovaline, Boc-L-|A-leucine, Boc-L-|A-homovaline, Boc-D-beta-HoVal-OH, AC1N9O9R, SCHEMBL68451, TMBA007, CTK0I7129, KS-00002BP2, MFCD02258127, 3-(Boc-amino)-4-methylpentanoic acid, AKOS013153305, AB11665, RTR-062255, TS-7149, 3-(Boc-amino)-4-methyl-pentanoic acid, AK106277, AK188051, (R)-3-(Boc-amino)-4-methylpentanoic acid, TR-062255, 4CH-024403, 3-tert-butoxycarbonylamino-4-methylpentanoic acid, 3-(tert-butoxycarbonylamino)-4-methyl-valeric acid, 3-(tert-butoxycarbonylamino)-4-methyl-pentanoic acid, Z1895741345, DL-3-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid, 4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid, Boc-|A-HoVal-OH, C11H21NO4, CID4413769, 183990-64-9, (R)-3-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid, 3-TERT-BUTOXYCARBONYLAMINO-4-METHYL-PENTANOICACID, 179412-79-4, (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid, (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.292g/mol
Monoisotopic Mass	231.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

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