AG00DJ78

4311-12-0 | 2-amino-4-(propan-2-ylcarbamoyl)butanoic acid

AG00DJ78

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CAS Number	4311-12-0
Catalog Number	AG00DJ78(AGN-PC-0OAE03)
Chemical Name	2-amino-4-(propan-2-ylcarbamoyl)butanoic acid
IUPAC Name	(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
InChI	InChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChI Key	CABXGBMKSVRWOG-LURJTMIESA-N
MDL Number	MFCD00672360
Molecular Formula	C8H16N2O3
Molecular Weight	188.2242
SMILES	O=C(O)[C@@H](N)CCC(NC(C)C)=O
Synonyms	H-GLN(ISOPROPYL)-OH, 4311-12-0, N-isopropyl-L-glutamine, (S)-2-Amino-5-(isopropylamino)-5-oxopentanoic acid, N-propan-2-yl-L-glutamine, N(5)-isopropyl-L-glutamine, N-omega-Isopropyl-L-glutamine, SCHEMBL1512839, CHEBI:85891, ZINC1608690, 7140AH, AKOS006275554, AS-49122, K-8888, Q27158772, 2-amino-4- butanoicacid, AC1ODT46, gamma-glutamyl-isopropylamide, C8H16N2O3, L-Glutamine, N-(1-methylethyl)-, NSC23913, CID6993184, (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	188.116092g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	188.22g/mol
Monoisotopic Mass	188.116092g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.4Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number