AG008R1K

105443-94-5 | (S)-tert-Butyl 2-carbamoylazetidine-1-carboxylate

AG008R1K

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CAS Number	105443-94-5
Catalog Number	AG008R1K(AGN-PC-0OURA9)
Chemical Name	(S)-tert-Butyl 2-carbamoylazetidine-1-carboxylate
IUPAC Name	tert-butyl (2S)-2-carbamoylazetidine-1-carboxylate
InChI	InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)/t6-/m0/s1
InChI Key	NDEIKFCAPOYPHU-LURJTMIESA-N
MDL Number	MFCD08461640
Molecular Formula	C9H16N2O3
Molecular Weight	200.2349
SMILES	O=C(N1[C@H](C(N)=O)CC1)OC(C)(C)C
Synonyms	105443-94-5, (S)-tert-Butyl 2-carbamoylazetidine-1-carboxylate, (S)-1-Boc-azetidine-2-carboxamide, 1-Azetidinecarboxylic acid, SCHEMBL1398934, KS-00000RVD, tert-butyl (2s)-2-(aminocarbonyl)azetidine-1-carboxylate, NDEIKFCAPOYPHU-LURJTMIESA-N, MFCD08461640, ZINC12648692, AKOS015911108, DS-7338, FCH3643025, AJ-62792, DA-48084, AX8281981, I14-39578, (2S)-carbamoyl-azetidine-1-carboxylic acid tert-butyl ester, (S)-2-Carbamoyl-azetidine-1-carboxylic acid tert-butyl ester,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	200.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.238g/mol
Monoisotopic Mass	200.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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