AG003OFE

170848-34-7 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

AG003OFE

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CAS Number	170848-34-7
Catalog Number	AG003OFE(AGN-PC-0O4TXK)
Chemical Name	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
IUPAC Name	methyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m1/s1
InChI Key	UGZBFCCHLUWCQI-ZCFIWIBFSA-N
MDL Number	MFCD00216580
Molecular Formula	C9H16INO4
Molecular Weight	329.1321
SMILES	O=C(OC)[C@H](NC(OC(C)(C)C)=O)CI
Synonyms	170848-34-7, Boc-3-iodo-D-alanine methyl ester, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate, Boc-beta-iodo-D-Ala-OMe, (S)-methyl 2-(tert-butoxycarbonylamino)-3-iodopropanoate, (S)-Boc-b-Iodo-Ala-OMe, (S)-METHYL 2-BOC-AMINO-3-IODOPROPIONATE, methyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate, methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate, (S)-2-[(tert-Butoxycarbonyl)amino]-3-iodopropionic acid methyl ester, D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, methyl ester, Boc-?-iodo-Ala-Ome, Boc-3-iodo-D-Ala-OMe, Boc-b-iodo-Ala-OMe, METHYL (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-IODOPROPANOATE, methyl (2S)-2-[(tert-butoxy)carbonylamino]-3-iodopropanoate, AK-63455, PubChem11554, (S)-Boc-|A-Iodo-Ala-OMe, AMGLY00018, SCHEMBL1743738, Boc-3-iodo-D-alaninemethylester, CTK7C3058, KS-00000KDY, DTXSID30465249, Boc-3-iodo-D-Ala-OMe, 99%, UGZBFCCHLUWCQI-ZCFIWIBFSA-N, CS-Z0021, ZINC2558987, ANW-71890, BBL103613, MFCD00216580, SBB054129, STL557423, AKOS015899819, AB04888, AM86005, CB-2014, FCH3647859, AC-24326, AJ-40202, BC215145, DS-15270, SC-29277, AB0044385, AX8032252, TC-160635, FT-0600253, ST24036304, ST51038344, S-8008, N-t-butoxycarbonyl-3-iodo-D-alanine methyl ester, I14-11859, N-(tert-Butoxycarbonyl)-3-iodo-D-alanine methyl ester, methyl (25)-2-(tert-butoxycarbonylamino)-3-iodo-propanoate, Methyl (2S)-2-(tert-butoxycarbonylamino)-3-iodo-propanoate, Methyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-3-iodo-D-alaninate, (S)-2-TERT-BUTOXYCARBONYLAMINO-3-IODO-PROPIONIC ACID METHYL ESTER, Boc-3-iodo-L-alanine methyl ester, ACN-040924, CID11416215, (S)-Methyl2-((tert-butoxycarbonyl)amino)-3-iodopropanoate, 93267-04-0, Methyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, 889670-02-4,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	329.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	329.134g/mol
Monoisotopic Mass	329.012g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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