AG003I6R

683218-80-6 | 3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid

AG003I6R

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CAS Number	683218-80-6
Catalog Number	AG003I6R(AGN-PC-03NRX9)
Chemical Name	3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
IUPAC Name	3-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(6-9(13)14)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChI Key	VGEUFFPHZNVSKU-UHFFFAOYSA-N
MDL Number	MFCD01861819
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1CC1
Synonyms	683218-80-6, 3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid, 3-(Boc-amino)-3-cyclopropylpropanoic Acid, 3-TERT-BUTOXYCARBONYLAMINO-3-CYCLOPROPYL-PROPIONIC ACID, 3-[(tert-butoxycarbonyl)amino]-3-cyclopropylpropanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid, SCHEMBL1200716, CTK7G9030, KS-00000AOU, DTXSID50624578, VGEUFFPHZNVSKU-UHFFFAOYSA-N, 5698AJ, KM1195, MFCD01861819, AKOS013460949, MCULE-7949860507, TRA0060184, 3-(Boc-amino)-3-cyclopropylpropanoicAcid, AK-85906, BC222972, DS-18119, SY016372, DB-032117, TC-307252, 4CH-022468, FT-0769852, ST24041339, MFCD01861819 (95+%), (R,S)-3-(Boc-amino)-3-cyclopropylpropanoic acid, 3-(tert-butoxycarbonylamino)-3-cyclopropylpropanoic acid, 3-[(t-Butoxycarbonyl)amino]-3-cyclopropylpropanoic acid, Z1649893144, 3-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (3S)(c)\3(c)\{[(tert(c)\butoxy)carbonyl]amino}(c)\3(c)\cyclopropylpropanoic acid, C11H19NO4, 1260588-00-8, 1260604-09-8, 67367-33-3,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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