AG00D892

500770-66-1 | Boc-(s)-3-amino-3-(2-thienyl)-propionic acid

AG00D892

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CAS Number	500770-66-1
Catalog Number	AG00D892(AGN-PC-0S64HJ)
Chemical Name	Boc-(s)-3-amino-3-(2-thienyl)-propionic acid
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid
InChI	InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-8(7-10(14)15)9-5-4-6-18-9/h4-6,8H,7H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChI Key	NKASXWOGBMOZJB-QMMMGPOBSA-N
MDL Number	MFCD03427912
Molecular Formula	C12H17NO4S
Molecular Weight	271.3327
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)C1=CC=CS1
Synonyms	Boc-(S)-3-Amino-3-(2-thienyl)-propionic acid, 500770-66-1, Boc-(S)-3-amino-3-(2-thienyl)propionic acid, ZINC2389094, 6220AH, MFCD03427912, AKOS013460945, AB15163, ACM500770661, AJ-35535, BBV-38259636, PS-12123, RT-011644, TL80073933, Boc-R-3-Amino-3-(2-thienyl)-propionic acid, A-8409, Boc-(S)-3-amino-3-(2-thienyl)-propionic acid, AldrichCPR, C12H17NO4S, CID7010229, (S)-3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-yl-propanoic Acid,

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	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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