AG00IB4U

63039-46-3 | 4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-

AG00IB4U

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CAS Number	63039-46-3
Catalog Number	AG00IB4U(AGN-PC-0ODZQU)
Chemical Name	4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
InChI	InChI=1S/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChI Key	AMKHAJIFPHJYMH-SSDOTTSWSA-N
MDL Number	MFCD01320886
Molecular Formula	C10H15NO4
Molecular Weight	213.2304
SMILES	[H][C@](CC#C)(NC(=O)OC(C)(C)C)C(O)=O
Synonyms	63039-46-3, Boc-D-Propargylglycine, (R)-2-((tert-Butoxycarbonyl)amino)pent-4-ynoic acid, Boc-D-Pra-OH, N-Boc-2-Propargyl-D-glycine, MFCD01320886, Boc-D-Gly(propargyl)-OH, (S)-N-Boc-Propargylglycine, (2R)-2-(tert-butoxycarbonylamino)pent-4-ynoic acid, J-300361, 4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-, (R)-N-BOC-Propargylglycine, 95%, 98% ee, AK-35925, Boc-(R)-2-Propargylglycine, SCHEMBL939477, CTK8B8261, DTXSID40426543, AMKHAJIFPHJYMH-SSDOTTSWSA-N, Boc-D-propargylglycine, AldrichCPR, ZINC2379465, ZX-AT014709, ANW-59807, CB-765, SBB016954, AC-7948, AC-9948, AM82636, AN-8493, FCH1619457, OR14675, RTR-021716, AJ-34592, AS-14662, M087, AB0015054, AX8021896, FT-0649683, N-(tert-Butoxycarbonyl)-3-ethynyl-D-alanine, M-2057, 2-(R)-tert-butoxycarbonylaminopent-4-ynoic acid, (R)-2-tert-butoxycarbonylamino-pent-4-ynoic acid, 039B463, (R)-2-(tert-butoxycarbonylamino)pent-4-ynoic acid, (R)-N-tert-Butoxycarbonyl-2-amino-4-pentynoic acid, (2R)-2-[(tert-butoxy)carbonylamino]pent-4-ynoic acid, (2R)-2-[(tert-butoxycarbonyl)amino]pent-4-ynoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}pent-4-ynoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid, (R)-N-Boc-Propargylglycine, BOC-D-PRA-OH DCHA, C10H15NO4, (R)-2-Boc-Amino-4-pentynoic acid, ACN-033930, CID7009126, (R)-2-((tert-Butoxycarbonyl)amino)pent-4-ynoicacid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic Acid, 63039-48-5, 63039-47-4,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	213.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	213.233g/mol
Monoisotopic Mass	213.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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