AG000SEY

1262412-13-4 | 1,​3-​Azetidinedicarboxyli​c acid, 3-​amino-​, 1-​(1,​1-​dimethylethyl) ester

AG000SEY

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CAS Number	1262412-13-4
Catalog Number	AG000SEY(AGN-PC-0WAIYC)
Chemical Name	1,​3-​Azetidinedicarboxyli​c acid, 3-​amino-​, 1-​(1,​1-​dimethylethyl) ester
IUPAC Name	3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
InChI	InChI=1S/C9H16N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5,10H2,1-3H3,(H,12,13)
InChI Key	XQGUPRXBCKPKJE-UHFFFAOYSA-N
MDL Number	MFCD18375110
Molecular Formula	C9H16N2O4
Molecular Weight	216.2343
SMILES	C(=O)(OC(C)(C)C)N1CC(C1)(C(=O)O)N
Synonyms	1262412-13-4, 3-amino-1-[(tert-butoxy)carbonyl]azetidine-3-carboxylic acid, 3-AMINO-1-(TERT-BUTOXYCARBONYL)AZETIDINE-3-CARBOXYLIC ACID, 3-amino-1-(tert-butoxycarbonyl)-3-azetidinecarboxylic acid, XQGUPRXBCKPKJE-UHFFFAOYSA-N, SCHEMBL9282356, ZX-CM008967, MFCD18375110, ZINC79058310, AKOS023402480, FCH1623794, 1-Boc-3-amino-3-azetidinecarboxylic acid, AS-51291, OR451032, 3-Amino-1-Boc-azetidine-3-carboxylic acid, CS-0051553, B-1681, 3-Amino-azetidine-1,3-dicarboxylicacid mono-tert-butyl ester, 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid, 3-Amino-azetidine-1,3-dicarboxylic acid mono-tert-butyl ester,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.111g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.237g/mol
Monoisotopic Mass	216.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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