AG00HZI9

170899-08-8 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-

AG00HZI9

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CAS Number	170899-08-8
Catalog Number	AG00HZI9(AGN-PC-0O4TZG)
Chemical Name	4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI	InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChI Key	BUPDPLXLAKNJMI-SSDOTTSWSA-N
MDL Number	MFCD01320882
Molecular Formula	C10H17NO4
Molecular Weight	215.2463
SMILES	C=CC[C@@H](NC(OC(C)(C)C)=O)C(O)=O
Synonyms	170899-08-8, Boc-D-Allylglycine, (R)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, Boc-alpha-Allyl-D-Gly, Boc-D-Allyglycine.DCHA, 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-, (r)-2-(tert-butoxycarbonylamino)pent-4-enoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid, (R)-N-BOC-Allylglycine, 95%, 98% ee, MFCD01320882, boc-d-allyglycine?dcha, AC1LCWYB, Boc-D-Allyglycine?CHA, rarechem bk pt 0253, (R)-N-Boc-2-allylglycine, (r)-n-boc-allylglycine(e.e.), BUPDPLXLAKNJMI-SSDOTTSWSA-N, boc-(r)-2-amino-4-pentenoic acid, EBD42204, ZINC2379460, AC-9625, FCH1619456, AJ-34590, AK-47936, BC675085, SC-10034, AX8018833, FT-0658051, 899B088, (2R)-2-(tert-butoxycarbonylamino)pent-4-enoic acid, (R)-2-(tert-Butoxycarbonylamino)-4-pentenoic acid, (R)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid, (2R)-2-[(tert-Butoxycarbonyl)amino]pent-4-enoic acid, Boc-D-Allyglycine inverted exclamation mark currencyDCHA, (2R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-pentenoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentenoic acid, D-Boc-Allylglycine, (R)-N-BOC-Allylglycine, Boc-D-Allylglycine.DCHA, Boc-D-Allylglycine-DCHA, C10H17NO4, (R)-2-Boc-Amino-4-pentenoic acid, CID638723, MFCD01321012, ACN-036746, 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic Acid, (R)-N-BOC-Allylglycine; (R)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid, N/A,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	215.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.249g/mol
Monoisotopic Mass	215.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

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