AG00C6C2

339539-81-0 | 1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-

AG00C6C2

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CAS Number	339539-81-0
Catalog Number	AG00C6C2(AGN-PC-0WAMGG)
Chemical Name	1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-
IUPAC Name	(3R)-3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI	InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)/t18-/m1/s1
InChI Key	SLWITFDUIZLEJL-GOSISDBHSA-N
MDL Number	MFCD26960973
Molecular Formula	C18H25NO4
Molecular Weight	319.3954
SMILES	O=C([C@]1(CC2=CC=CC=C2)CN(C(OC(C)(C)C)=O)CCC1)O
Synonyms	339539-81-0, (R)-3-Benzyl-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid, Anamorelin intermediate-2, 1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-, SCHEMBL6864182, SLWITFDUIZLEJL-GOSISDBHSA-N, BCP16364, CS-M2148, ZINC2513075, 2925AH, ZB0891, AKOS027252834, AC-29223, AK201982, DS-10286, (3R)-3-benzylpiperidine-1,3-dicarboxylic acid 1-tert-butyl ester, C18H25NO4, AJ-36786,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	319.178358g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	319.4g/mol
Monoisotopic Mass	319.178358g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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