AG00B6YA

19506-89-9 | 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

AG00B6YA

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CAS Number	19506-89-9
Catalog Number	AG00B6YA(AGN-PC-0QNEBG)
Chemical Name	2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid
EC Number	219-337-1
IUPAC Name	2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
InChI	InChI=1S/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChI Key	RMOSZIHTPMEZAP-UHFFFAOYSA-N
MDL Number	MFCD00023057
Molecular Formula	C14H15NO4
Molecular Weight	261.2732
SMILES	CC(CC(C(O)=O)N1C(=O)C2=C(C=CC=C2)C1=O)C
Synonyms	19506-89-9, Pht-Dl-Leu-Oh, 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid, 2-(1,3-dioxoisoindolin-2-yl)-4-methylpentanoic acid, Phthaloyl-Leu-OH, PHTHALYL-DL-LEUCINE, 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-pentanoic acid, 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid, 2419-38-7, 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid, 5115-57-1, (S)-2-(1,3-Dioxoisoindolin-2-yl)-4-methylpentanoic acid, N-phthaloyl leucine, NSC56825, AC1L2TLJ, AC1Q5SBK, ChemDiv3_013266, AC1Q1P5E, Cambridge id 7130326, (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid, NCIOpen2_002363, Oprea1_508444, SCHEMBL478909, RMOSZIHTPMEZAP-UHFFFAOYSA-N, HMS1510K22, ALBB-010568, EINECS 219-337-1, 2-phthalimido-4-methylpentanoic acid, 4-Methyl-2-phthalimidopentanoic acid, 6575AD, MFCD00023057, NSC-56825, NSC126816, SBB015187, STK252437, AKOS000114584, AKOS016040432, MCULE-9713554115, NSC-126816, AB0127610, FT-0684354, ST45138543, L-2948, AF-960/00453020, SR-01000582005, I04-5676, SR-01000582005-1, BRD-A83181676-001-01-6, Z56839685, 2-(1,3-dioxo-2-azaindan-2-yl)-4-methylpentanoic acid, 2-(1,3-dioxo-2-azaindane-2-yl)-4-methylpentanoic acid, 2-(1,3-Dioxoisoindoline-2-yl)-4-methylpentanoic acid, F0827-0160, 2-(1,3-dioxobenzo[c]azolidin-2-yl)-4-methylpentanoic acid, 2-(1,3-dioxobenzo[c]azolin-2-yl)-4-methylpentanoic acid, (R)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-pentanoic acid, 2H-isoindole-2-acetic acid, 1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-, (S)-1,3-Dihydro-alpha-(2-methylpropyl)-1,3-dioxo-2H-isoindole-2-acetic acid, 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-, (S)-, D-phthleucine, Phthaloyl-L-Leucine, PHT-LEU-OH, C14H15NO4, AR-1C6028, CID102808, 24749-10-8, 29588-87-2,

Complexity	380
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.1g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.277g/mol
Monoisotopic Mass	261.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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