AG0037MC

549506-47-0 | 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-2-oxo-

AG0037MC

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CAS Number	549506-47-0
Catalog Number	AG0037MC(AGN-PC-01A9TA)
Chemical Name	1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-2-oxo-
IUPAC Name	2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
InChI	InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12(7-9(15)16)8(14)6-13/h4-7H2,1-3H3,(H,15,16)
InChI Key	QHPTYSXSHRLTHM-UHFFFAOYSA-N
MDL Number	MFCD04115297
Molecular Formula	C11H18N2O5
Molecular Weight	258.2710
SMILES	OC(=O)CN1CCN(CC1=O)C(=O)OC(C)(C)C
Synonyms	549506-47-0, 4-N-Boc-2-oxo-piperazine-1-acetic acid, 2-oxo-4-boc-1-piperazineacetic acid, 2-(4-(tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid, 4-boc-1-carboxymethylpiperazin-2-one, 2-{4-[(tert-butoxy)carbonyl]-2-oxopiperazin-1-yl}acetic acid, 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-2-oxo-, 4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid, 4-N-Boc-2-oxo-piperazine-1-aceticacid, ACMC-209lkd, SCHEMBL6873040, CTK1G9198, DTXSID10589235, QHPTYSXSHRLTHM-UHFFFAOYSA-N, KS-000019OX, ANW-32219, MFCD04115297, ZINC12648852, AKOS015918885, 4-boc-1-carboxymethyl-piperazin-2-one, AB19875, CB-1141, MCULE-7327857399, RP29209, 2-Oxo-4-BOC- 1-piperazineacetic acid, 4-N-boc-2-oxopiperazine-1-acetic acid, AJ-62799, AS-36822, AB0065962, RT-009800, AM20100355, CS-0035671, FT-0654526, ST24040982, EN300-82963, J-510218, S13-0012, Z1255523332, [4-(TERT-BUTOXYCARBONYL)-2-OXOPIPERAZIN-1-YL]ACETIC ACID, 4-carboxymethyl-3-oxo-piperazine-1-carboxylicacidtert-butylester, 2-Oxo-4-Boc-1-piperazineaceticacid, 2-Cyano-N-(4-methoxyphenyl)acetamide, A-1710, A13649,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.274g/mol
Monoisotopic Mass	258.122g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	87.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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