AG0037LP

5699-54-7 | 3-Amino-4-methylpentanoic Acid

AG0037LP

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CAS Number	5699-54-7
Catalog Number	AG0037LP(AGN-PC-0JNMDV)
Chemical Name	3-Amino-4-methylpentanoic Acid
IUPAC Name	3-amino-4-methylpentanoic acid
InChI	InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChI Key	GLUJNGJDHCTUJY-UHFFFAOYSA-N
MDL Number	MFCD00800505
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
SMILES	NC(CC(=O)O)C(C)C
Synonyms	3-amino-4-methylpentanoic acid, beta-leucine, 3-Amino-4-methylpentanoic acid, 5699-54-7, DL-beta-homovaline, DL-beta-Leucine, DL-Homo-beta-valine, Pentanoic acid, 3-amino-4-methyl-, beta-Leucine, 3-Amino-4-methyl-pentanoic acid, GLUJNGJDHCTUJY-UHFFFAOYSA-N, DL-|A-Leucine, aminomethylpentanoicacid, ACMC-20ana5, a-Aminoisobutylessigsaure, bmse000466, AC1L4W7N, AC1Q5VC3, Oprea1_308963, SCHEMBL545348, 3-amino-4-methyl-valeric acid, 3-amino-4-methyl pentanoic acid, CHEBI:72772, CTK5A6123, 3-azanyl-4-methyl-pentanoic acid, ()-3-Amino-4-methylvaleric acid, Pentanoic acid,3-amino-4-methyl-, ALBB-007459, KS-00000KN5, ()-3-Amino-4-methylpentanoic acid, CH-613, MFCD00800505, SBB085782, STK504550, AKOS000265956, AKOS016340111, CS-W013424, DL-beta-Leucine, >=98.0% (NT), HY-W012708, MCULE-2785677086, racemic 3-amino-4-methylpentanoic acid, RP09716, AK-45075, AK-86154, AK124272, SY016724, SY077258, AB0031003, DB-012509, TR-019942, 4CH-014300, 4CH-024906, FT-0630332, X3317, MFCD00800505 (95%), MFCD01076231 (95%), W-7619, 7T-0026, J-502209, J-511622, F0913-5477, Z2235810207, (r)-beta-homovaline, (r)-3-amino-4-methylpentanoic acid, (S)-beta-Homovaline, (s)-3-amino-4-methylpentanoic acid, C6H13NO2, |A-2-amino-4-methylvaleric acid, AR-1F1816, CID193411, 3-AMINO-4-METHYLPENTANOICACID, (3R)-3-amino-4-methylpentanoic acid, (3S)-3-amino-4-methylpentanoic acid, 40469-85-0, 75992-50-6, A8142, A13215, C02486, 63598-71-0,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	131.175g/mol
Monoisotopic Mass	131.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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