AG00APDC

193693-68-4 | 1,3-Piperidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-

AG00APDC

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CAS Number	193693-68-4
Catalog Number	AG00APDC(AGN-PC-0O6DY5)
Chemical Name	1,3-Piperidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-
IUPAC Name	(3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
InChI	InChI=1S/C21H21NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m0/s1
InChI Key	FINXGQXNIBNREL-AWEZNQCLSA-N
MDL Number	MFCD04112682
Molecular Formula	C21H21NO4
Molecular Weight	351.3957
SMILES	O=C([C@@H]1CN(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CCC1)O
Synonyms	193693-68-4, L-1-Fmoc-Nipecotic acid, (S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid, fmoc-(s)-nipecotic acid, N-Fmoc-(S)-nipecotic acid, (s)-1-fmoc-piperidine-3-carboxylic acid, FMOC-L-NIPECOTIC ACID, (3S)-1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-3-carboxylic acid, (s)-fmoc-nip, fmoc-(s)-nip, 1,3-PIPERIDINEDICARBOXYLIC ACID, 1-(9H-FLUOREN-9-YLMETHYL) ESTER, (3S)-, SCHEMBL799721, (S)-FMOC-NIPECOTIC ACID, CTK7I3588, DTXSID00589229, KS-00000J1T, ZINC2568207, (s)-piperidine-1,3-dicarboxylic acid 1-(9h-fluoren-9-ylmethyl) ester, ANW-72364, CF-262, MFCD04112682, (s)-fmoc-piperidine-3-carboxylic acid, AKOS015837407, AB17654, RTR-008992, AJ-41585, AS-10004, 1-n-fmoc-piperidine-3(s)-carboxylic acid, DB-065827, TR-008992, FT-0658606, ST24035702, A-8205, Q-102977, (S)-1-Fmoc-piperidine-3-carboxylic acid, AldrichCPR, (3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)nipecotic acid, (3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid, (3S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-3-carboxylic acid, (3S)-1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-3-piperidinecarboxylic acid, (3S)-Piperidine-1,3beta-dicarboxylic acid 1-(9H-fluorene-9-ylmethyl) ester, Fmoc-Nip-OH, FINXGQXNIBNREL-AWEZNQCLSA-N, (2S,3'S)-1-(3-METHYL-2-METHYLAMINO-BUTYL)-PYRROLIDIN-3-OL 2HCL,

Complexity	514
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	351.147g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	351.402g/mol
Monoisotopic Mass	351.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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