AG000IV2

119479-32-2 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG000IV2

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CAS Number	119479-32-2
Catalog Number	AG000IV2(AGN-PC-0JU6HI)
Chemical Name	4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	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)
InChI Key	BUPDPLXLAKNJMI-UHFFFAOYSA-N
MDL Number	MFCD02682445
Molecular Formula	C10H17NO4
Molecular Weight	215.2463
SMILES	C(C)(C)(C)OC(=O)NC(C(=O)O)CC=C
Synonyms	119479-32-2, 2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, 2-(TERT-BUTOXYCARBONYLAMINO)PENT-4-ENOIC ACID, 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-(BOC-AMINO)PENT-4-ENOIC ACID, 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic Acid, 2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid, 2-{[(tert-butoxy)carbonyl]amino}pent-4-enoic acid, Boc-DL-Allylglycine, (S)-N-Boc-allyl-glycine, AK-85972, AC1NPXKN, SCHEMBL212773, 2-Boc-AMino-4-pentenoic acid, CTK5J3620, DTXSID10409080, 2-(Boc-amino)-4-pentenoic acid, BUPDPLXLAKNJMI-UHFFFAOYSA-N, KS-000019RQ, 3340AA, ANW-60420, AR3176, MFCD02682445, N-tert-Butoxycarbonyl-dl-allylglycine, AKOS013465630, CB-2120, FCH4901731, SS-4916, ACM119479322, AK101165, AM803025, AN-35021, BBV-38246681, OR311293, AX8232704, TX-016098, 2-tert-butoxycarbonylamino-pent-4-enoic acid, 4CH-014302, 2-(tert-Butoxycarbonylamino)-4-pentenoic acid, A-7729, 2-[(tert-butoxycarbonyl)amino]-4-pentenoic acid, F2147-6511, DL-Boc-Allylglycine, C10H17NO4, ACN-S005327, (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, CID5166119, 90600-20-7, 2-((tert-Butoxycarbonyl)amino)pent-4-enoicacid, (R)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid, 170899-08-8,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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