AG0033K8

77087-60-6 | 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester

AG0033K8

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CAS Number	77087-60-6
Catalog Number	AG0033K8(AGN-PC-0WA315)
Chemical Name	3-[[(1,1-Dimethylethoxy)carbonyl]amino]-l-alanine methyl ester
IUPAC Name	methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
InChI Key	AXLHVTKGDPVANO-LURJTMIESA-N
MDL Number	MFCD04039602
Molecular Formula	C9H18N2O4
Molecular Weight	218.2502
SMILES	COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Synonyms	77087-60-6, (S)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)propanoate, 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-L-alanine methyl ester, H-Dap(Boc)-OMe, H-L-Dap(Boc)-Ome, methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate, EN300-75446, methyl (2S)-2-amino-3-[(tert-butoxycarbonyl)amino]propanoate, AK-75923, AC1ODUPM, PubChem13349, Methyl 3-[t-Butyloxycarbonyl)amino]-L-alanine, Methyl 3-[(tert-butoxycarbonyl)amino]-L-alaninate, SCHEMBL1854219, methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, CTK8B5728, DTXSID80427337, AXLHVTKGDPVANO-LURJTMIESA-N, KS-00000L5Y, ANW-49835, CH-439, MFCD04039602, ZINC22016881, AKOS008154064, AKOS015850904, AC-6366, CS-W004869, FCH2716804, MCULE-7204687881, AJ-80705, AN-10102, BC675423, BR-75923, DS-15940, AB0033450, AX8042008, ST2414669, TR-024654, FT-0648710, X7002, S-5482, 087D606, I14-10010, methyl(S)-2-amino-3-tert-butoxycarbonylaminopropanoate, methyl (2S)-2-amino-3-(tert-butoxycarbonylamino)propanoate, (S)-2-Amino-3-(tert-butoxycarbonylamino)propanoic acid methyl ester, H-L-Dap(Boc)-OMe;, C9H18N2O4, CID7021143, 3-[[ carbonyl]amino]-L-alaninemethylester, (S)-methyl 2-amino-3-(tert-butoxycarbonyl)propanoate, Methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	218.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.253g/mol
Monoisotopic Mass	218.127g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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