AG002E8H

190004-53-6 | Cbz-1-amino-1-cyclobutanecarboxylic acid

AG002E8H

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CAS Number	190004-53-6
Catalog Number	AG002E8H(AGN-PC-0K69ED)
Chemical Name	Cbz-1-amino-1-cyclobutanecarboxylic acid
IUPAC Name	1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
InChI	InChI=1S/C13H15NO4/c15-11(16)13(7-4-8-13)14-12(17)18-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,17)(H,15,16)
InChI Key	GDJSFBNRXFOUEQ-UHFFFAOYSA-N
MDL Number	MFCD03426163
Molecular Formula	C13H15NO4
Molecular Weight	249.2625
SMILES	O=C(C1(NC(OCC2=CC=CC=C2)=O)CCC1)O
Synonyms	190004-53-6, 1-(((Benzyloxy)carbonyl)amino)cyclobutanecarboxylic acid, Z-cyclovaline, MFCD03426163, Z-AC4C-OH, 1-(Benzyloxycarbonylamino)-cyclobutyl-1-carboxylic acid, 1-(((Benzyloxy)carbonyl)amino)-cyclobutanecarboxylic acid, 1-{[(BENZYLOXY)CARBONYL]AMINO}CYCLOBUTANE-1-CARBOXYLIC ACID, 1-{[(benzyloxy)carbonyl]amino}cyclobutanecarboxylic acid, 1-(Z-amino)cyclobutanecarboxylic acid, Z-ACBC-OH, AC1LTQK5, SCHEMBL4179836, CTK0H3872, DTXSID70363750, GDJSFBNRXFOUEQ-UHFFFAOYSA-N, ZINC1433308, 9896AA, CZ-145, AKOS010054806, RTC-066308, AJ-25911, TC-066308, FT-0656323, K-5686, 1-Benzyloxycarbonylaminocyclobutanecarboxylic acid, 1-(Benzyloxycarbonylamino)cyclobutanecarboxylic acid, A1-00065, I14-5309, 1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]-, Cyclobutanecarboxylicacid, 1-[[(phenylmethoxy)carbonyl]amino]-, Cyclobutanecarboxylicacid,1-[[(phenylmethoxy)carbonyl]amino]-, C13H15NO4, CBZ-1-AMINO-1-CYCLOBUTANECARBOXYLIC ACID, CID1512648, 1-phenylmethoxycarbonylaminocyclobutane-1-carboxylic Acid, Cyclobutanecarboxylic acid, 1-[[(phenylmethoxy)carbonyl]amino]- (9CI),

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.266g/mol
Monoisotopic Mass	249.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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