AG003CKV

57224-50-7 | (2S)-2-amino-4,4-dimethylpentanoic acid

AG003CKV

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CAS Number	57224-50-7
Catalog Number	AG003CKV(AGN-PC-0WADDW)
Chemical Name	(2S)-2-amino-4,4-dimethylpentanoic acid
EC Number	611-484-3
IUPAC Name	(2S)-2-amino-4,4-dimethylpentanoic acid
InChI	InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChI Key	LPBSHGLDBQBSPI-YFKPBYRVSA-N
MDL Number	MFCD00066079
Molecular Formula	C7H15NO2
Molecular Weight	145.1995
SMILES	CC(C)(C)C[C@H](N)C(O)=O
Synonyms	2-amino-3-tert-butylpropionic acid, gamma-methyl-L-leucine, gamma-methylleucine, neopentylglycine, 57224-50-7, gamma-Methyl-L-leucine, (S)-2-Amino-4,4-dimethylpentanoic acid, gamma-Methylleucine, 4-methyl-l-leucine, L-Neopentylglycine, 3-tert-Butyl-L-alanine, 4-methylLeucine, L-Nepentylglycine, H-BETA-TBU-ALA-OH, Neopentylglycine, (2S)-2-amino-4,4-dimethylpentanoic acid, L-alpha-Neopentylglycine, L-Leucine, 4-methyl-, (2S)-2-Amino-4,4-dimethyl-pentanoic acid, 2-Amino-3-tert-butylpropionic acid, L-neopentyl glycine, L-|A-Methylleucine, (s)-neopentyl-glycine, H-Tba-OH, L-|A-Neopentylglycine, 4-methyl-(L)-leucine, H-NEOPENTYLGLY-OH, AC1L4XGT, AC1Q5QJS, H-GAMMA-ME-LEU-OH, SCHEMBL196695, BDBM18148, CTK5A6481, DTXSID50205846, LPBSHGLDBQBSPI-YFKPBYRVSA-N, ZINC391810, CH-386, MFCD00066079, AKOS025117355, AB02684, GS-6012, 2(S)-amino-4,4-dimethylpentanoic acid, KS-0000266W, L-2-Amino-4,4-dimethyl pentanoic acid, AJ-21115, DA-18328, (S)-2-amino-4,4-dimethyl-pentanoic acid, FT-0640443, L-alpha-Neopentylglycine, >=98.0% (TLC), ST24035997, Pentanoic acid,2-amino-4,4-dimethyl-, (2S)-, |A-Methyl-L-leucine, AR-1G3640, CID194032, ACN-036769, 106247-35-2, 63679-60-7,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	145.11g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.202g/mol
Monoisotopic Mass	145.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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