AG00IAK8

595-40-4 | (S)-2-Amino-2-methylbutanoic acid

AG00IAK8

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CAS Number	595-40-4
Catalog Number	AG00IAK8(AGN-PC-0WAJYC)
Chemical Name	(S)-2-Amino-2-methylbutanoic acid
IUPAC Name	(2S)-2-amino-2-methylbutanoic acid
InChI	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
InChI Key	GCHPUFAZSONQIV-YFKPBYRVSA-N
MDL Number	MFCD00145255
Molecular Formula	C5H11NO2
Molecular Weight	117.1463
SMILES	N[C@@](C(O)=O)(CC)C
UNII	EBV7H5W26H
Synonyms	14C-AMB, 2-amino-2-methylbutanoic acid, 2-ethylalanine, alpha-amino-2-methylbutanoic acid, alpha-ethylalanine, isovaline, isovaline hydrochloride, (D)-isomer, isovaline hydrochloride, (DL)-isomer, isovaline, (D)-isomer, isovaline, (DL)-isomer, isovaline, monosodium salt, isovaline, monosodium salt, (D)-isomer, D-Isovaline, (S)-2-amino-2-methylbutanoic acid, 3059-97-0, 595-40-4, L-iso-valine, UNII-EBV7H5W26H, D(-)-Isovaline, EBV7H5W26H, Isovaline, L-, AK-81168, Butyric acid, 2-amino-2-methyl-, Butanoic acid, 2-amino-2-methyl-, Isovaline L-, alpha-Ethylalanine, L(+)-Isovaline monohydrate, 99+%, (>99% ee), 14C-Amb, Alanine, 2-ethyl-, (L)-, alpha-Amino-2-methylbutanoic acid, NSC 1019, alpha-Amino-alpha-methylbutyric acid, AC1ODZKE, Butanoic acid, 2-amino-2-methyl-, (S)-, Isovaline, L- (8CI), D(-)-Isovaline, 97%, SCHEMBL23350, D-isovaline pound>>R-isovaline, CTK1C5943, ZINC901761, BCP11781, KS-000001EO, ANW-54228, FCH835524, MFCD00145255, (2S)-2-amino-2-methylbutanoic acid, AKOS006281637, AB03946, AC-4458, ACN-040860, CS-W008544, RTR-013126, AJ-24380, BC679185, DS-16149, SC-20420, SC-85117, (S)-2-AMINO-2-METHYLBUTYRIC ACID, AX8002464, ST2406767, TR-013126, (S)-alpha-Ethylalanine (>98%, >99%ee), 595I404, (R)-(-)-2-Amino-2-methylbutanoicacidmonohydrate(e.e.), UNII-JUL973T11C component GCHPUFAZSONQIV-YFKPBYRVSA-N, (R)-(-)-2-AMINO-2-METHYL BUTANOIC ACID MONOHYDRATE, L-Isovaline, Isovaline, 2-Ethylalanine, (R)-Isovaline, Isovaline, D-, (R)-(-)-Isovaline, Isovaline D-form [MI], D-Isovaline - 1G 1g, 2-Amino-2-methylbutyric acid, UNII-IF7U5GXQ28, 2-Amino-2-methylbutanoic acid, C5-H11-N-O2, (R)-2-amino-2-methylbutanoic acid, alpha-Methyl-D-alpha-aminobutyric acid, CID6971276, C03571, 595-39-1,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	117.079g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	117.148g/mol
Monoisotopic Mass	117.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.3

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

Lot Number