AG00HRMN

1269757-29-0 | trans-1-((Benzyloxy)carbonyl)-5-methylpiperidine-3-carboxylic acid

AG00HRMN

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CAS Number	1269757-29-0
Catalog Number	AG00HRMN(AGN-PC-0WG3TD)
Chemical Name	trans-1-((Benzyloxy)carbonyl)-5-methylpiperidine-3-carboxylic acid
IUPAC Name	(3S,5S)-5-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
InChI	InChI=1S/C15H19NO4/c1-11-7-13(14(17)18)9-16(8-11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)/t11-,13-/m0/s1
InChI Key	SOYXQVSBDHHRLV-AAEUAGOBSA-N
MDL Number	MFCD22573916
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	C[C@H]1C[C@@H](CN(C1)C(=O)OCC1=CC=CC=C1)C(O)=O
Synonyms	TRANS-1-(BENZYLOXYCARBONYL)-5-METHYLPIPERIDINE-3-CARBOXYLIC ACID, 1269757-29-0, SCHEMBL1439769, SOYXQVSBDHHRLV-AAEUAGOBSA-N, MFCD22573916, ZINC91303472, AM805228, AS-38343, CS-0035953, 5-Methyl-piperidine-1,3-dicarboxylic acid 1-benzyl ester, (3S,5S)-1-(benzyloxycarbonyl)-5-methylpiperidine-3-carboxylic acid, (3S,5S)-1-((Benzyloxy)carbonyl)-5-methylpiperidine-3-carboxylic acid, trans-1-((Benzyloxy)carbonyl)-5-methylpiperidine-3-carboxylic acid,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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