AG00BY5F

337904-92-4 | 5-[(tert-Butoxycarbonyl)amino]nicotinic acid

AG00BY5F

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CAS Number	337904-92-4
Catalog Number	AG00BY5F(AGN-PC-03N2E9)
Chemical Name	5-[(tert-Butoxycarbonyl)amino]nicotinic acid
IUPAC Name	5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
InChI	InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)
InChI Key	KOKMNLWZMSIVQZ-UHFFFAOYSA-N
MDL Number	MFCD06657509
Molecular Formula	C11H14N2O4
Molecular Weight	238.2399
SMILES	O=C(O)C1=CN=CC(NC(OC(C)(C)C)=O)=C1
Synonyms	337904-92-4, 5-((tert-Butoxycarbonyl)amino)nicotinic acid, 5-[(tert-Butoxycarbonyl)amino]nicotinic acid, 5-(BOC-AMINO)NICOTINIC ACID, 5-TERT-BUTOXYCARBONYLAMINO-PYRIDINE-3-CARBOXYLIC ACID, 5-tert-Butoxycarbonylamino-nicotinic acid, 3-Pyridinecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid, SCHEMBL933756, CTK1C1672, KS-00000FBQ, DTXSID70624070, KOKMNLWZMSIVQZ-UHFFFAOYSA-N, ACT02439, ANW-47006, MFCD06657509, ZINC21985299, AKOS012455146, AB25593, CS-W005975, RTX-013265, AC-14690, AJ-79340, AK-79077, DS-17550, SC-26307, 5-(tert-butoxycarbonylamino)nicotinic acid, AB0024303, DB-068884, FT-0762172, ST24029255, W5544, X-2051, 5-Tert-butoxycarbonylamino-pyridine-3-carboxylic a, 5-{[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylic acid, 5-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)nicotinic acid, 3-Pyridinecarboxylicacid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 5-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID, C11H14N2O4, 5-((tert-Butoxycarbonyl)amino)nicotinicacid, 5-TERT-BUTOXYCARBONYLAMINO-PYRIDINE-3-CARBOXYLICACID,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	238.243g/mol
Monoisotopic Mass	238.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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