AG0033KV

372144-02-0 | 3-Amino-3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propanoic acid

AG0033KV

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CAS Number	372144-02-0
Catalog Number	AG0033KV(AGN-PC-03NRX2)
Chemical Name	3-Amino-3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propanoic acid
IUPAC Name	3-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
InChI	InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)10(14)8-11(16)17/h9-10H,4-8,14H2,1-3H3,(H,16,17)
InChI Key	COIKOWZPIUVFDC-UHFFFAOYSA-N
MDL Number	MFCD03425240
Molecular Formula	C13H24N2O4
Molecular Weight	272.3407
SMILES	NC(CC(=O)O)C1CCN(CC1)C(=O)OC(C)(C)C
Synonyms	372144-02-0, 3-AMINO-3-(1-BOC-4-PIPERIDYL)PROPANOIC ACID, 3-Amino-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid, 3-amino-3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propanoic acid, 4-(1-Amino-2-carboxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester, SCHEMBL13666932, CTK7J1845, KS-00000AOJ, 5781AJ, MFCD03425240, AKOS022183983, AB14607, TRA0043449, AS-32002, SY015506, AB0065757, AX8256712, DB-024288, TC-307332, FT-0768691, 3-Amino-3-(1-Boc-4-piperidyl)propanoicAcid, A57743, K-8232, MFCD03425240 (95+%), 3-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid, C13H24N2O4, 1480-87-1,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.174g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.345g/mol
Monoisotopic Mass	272.174g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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