AG00150X

121470-62-0 | (S)-2-benzamidopentanoic acid

AG00150X

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CAS Number	121470-62-0
Catalog Number	AG00150X(AGN-PC-0O0BHC)
Chemical Name	(S)-2-benzamidopentanoic acid
IUPAC Name	(2S)-2-benzamidopentanoic acid
InChI	InChI=1S/C12H15NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChI Key	PZIVHOLHABBQKU-JTQLQIEISA-N
MDL Number	MFCD00190769
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	CCC[C@H](NC(C1=CC=CC=C1)=O)C(O)=O
Synonyms	(S)-2-Benzamidopentanoic acid, 121470-62-0, BZ-NVA-OH, Benzoyl-L-Norvaline, N-Benzoyl-L-norvaline, L-Norvaline, N-benzoyl-, N-Benzoyl-3-ethyl-L-alanine, SCHEMBL9829285, CTK0H0341, DTXSID30551676, ZINC2556528, ANW-63273, MFCD00190769, AJ-39920, RT-011447, FT-0697432, K-1595, ACN-033901,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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