AG00092D

1135916-70-9 | 3-Pyrrolidineacetic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester

AG00092D

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CAS Number	1135916-70-9
Catalog Number	AG00092D(AGN-PC-0WBRHM)
Chemical Name	3-Pyrrolidineacetic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
IUPAC Name	tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-8(7-14)9(13)10(15)17-4/h8-9H,5-7,13H2,1-4H3
InChI Key	IOYJGIAHVAQCPO-UHFFFAOYSA-N
MDL Number	MFCD06410514
Molecular Formula	C12H22N2O4
Molecular Weight	258.3141
SMILES	O=C(N1CC(C(N)C(OC)=O)CC1)OC(C)(C)C
Synonyms	TERT-BUTYL 3-(1-AMINO-2-METHOXY-2-OXOETHYL)PYRROLIDINE-1-CARBOXYLATE, 1135916-70-9, AK170400, SCHEMBL2612117, MFCD06410514, AKOS023833865, AB24519, AS-50488, Methyl a-amino-1-Boc-3-pyrrolidineacetate, CS-0048401, tert-Butyl 3-(1-amino-2-methoxy-2-oxo-ethyl)pyrrolidine-1-carboxylate, 3-Pyrrolidineacetic acid, alpha-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.158g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.318g/mol
Monoisotopic Mass	258.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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