AG0036JD

75266-40-9 | (S)-Methyl 2-(benzyloxycarbonylamino)but-3-enoate

AG0036JD

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CAS Number	75266-40-9
Catalog Number	AG0036JD(AGN-PC-0U6Y2N)
Chemical Name	(S)-Methyl 2-(benzyloxycarbonylamino)but-3-enoate
IUPAC Name	methyl (2S)-2-(phenylmethoxycarbonylamino)but-3-enoate
InChI	InChI=1S/C13H15NO4/c1-3-11(12(15)17-2)14-13(16)18-9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3,(H,14,16)/t11-/m0/s1
InChI Key	YDGRSOXTMWVLOJ-NSHDSACASA-N
MDL Number	MFCD00145552
Molecular Formula	C13H15NO4
Molecular Weight	249.2625
SMILES	C(C1=CC=CC=C1)OC(=O)N[C@H](C(=O)OC)C=C
Synonyms	75266-40-9, (S)-Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate, Z-L-a-vinyl-Gly-OMe, Z-L-ALPHA-VINYL-GLY-OME, (S)-2-(BENZYLOXYCARBONYLAMINO)-3-BUTENOIC ACID METHYL ESTER, (S)-Methyl 2-(benzyloxycarbonylamino)but-3-enoate, AK113160, PubChem11522, Z-L-|A-vinyl-Gly-OMe, SCHEMBL930559, CTK5E1341, KS-00000LNP, DTXSID10448494, YDGRSOXTMWVLOJ-NSHDSACASA-N, ZINC2517015, 1693AC, MFCD00145552, AKOS016009947, CS-W006316, DS-6106, FCH4053550, LS30078, AJ-37016, AX8048574, ST2402864, C3210, FT-0080737, FT-0600280, S-8165, methyl (S)-2-(((benzyloxy)carbonyl)amino)but-3-enoate, (S)-2-Benzyloxycarbonylamino-but-3-enoic acid methyl ester, 3-Butenoic acid,2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)-, C13H15NO4, CB11017, CID10922916, Methyl 2-phenylmethoxycarbonylaminobut-3-enoate, (S)-2-(Benzyloxycarbonylamino)-3-ButenoicAcidMethylEster, (S)-Methyl2-(((benzyloxy)carbonyl)amino)but-3-enoate,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.266g/mol
Monoisotopic Mass	249.1g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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