AG003C8H

78452-55-8 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid

AG003C8H

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CAS Number	78452-55-8
Catalog Number	AG003C8H(AGN-PC-0UDHAR)
Chemical Name	(R)-2-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid
InChI	InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChI Key	OJLISTAWQHSIHL-SECBINFHSA-N
MDL Number	MFCD00065591
Molecular Formula	C12H17NO4S
Molecular Weight	271.3327
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CS1
Synonyms	78452-55-8, BOC-D-2-THIENYLALANINE, boc-d-thi-oh, (R)-2-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid, EN300-77294, Boc-D-3-(2-Thienyl)-alanine, Boc-3-(2-thienyl)-D-alanine, Boc-D-2-Thi-OH, SCHEMBL2481878, CTK8F0141, Boc-beta-(2-thienyl)-D-alanine, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid, OJLISTAWQHSIHL-SECBINFHSA-N, Boc-beta-(2-thienyl)-D-Ala-OH, KS-00002A0P, N-Boc-beta-(2-thienyl)-D-alanine, ZINC2539208, ZX-AT014683, CB-757, KM1915, MFCD00065591, SBB066401, AKOS015897336, AC-9987, OR14643, AJ-38812, AK163549, CC-25008, PS-12145, SC-13979, AX8014205, TL8006678, TR-025101, FT-0623151, 3-(Thien-2-yl)-L-alanine, N-BOC protected, 452B558, n-(tert-butoxycarbonyl)-3-(2-thienyl)-d-alanine, Boc-beta-(2-thienyl)-D-Ala-OH, >=98.0% (HPLC), (2R)-2-(tert-butoxycarbonylamino)-3-(2-thienyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(2-thienyl)propionic acid, (2R)-2-(tert-Butoxycarbonylamino)-3(thiophen-2-yl)propionic acid, (2R)-2-(tert-Butoxycarbonylamino)-3-(thiophen-2-yl)propionic acid, (2R)-2-[(tert-butoxy)carbonylamino]-3-(2-thienyl)propanoic acid, (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(thien-2-yl)propanoic acid, (R)-2-(tert-butoxycarbonylamino)-3-(thiophen-2-yl)propanoic acid, (R)-2-[(tert-butoxycarbonyl)amino]-3-(thiophen-2-yl)propionic acid, (r)-2-[(tert.-butyloxy)carbonylamino]-3-(2-thienyl)propanoic acid, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(thiophen-2-yl)propanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-yl-propanoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid, (R)-N-Boc-2-Thienylalanine, CID7017898, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoate, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-yl-propanoic Acid, 56675-37-7,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	271.088g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.331g/mol
Monoisotopic Mass	271.088g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number