AG00968D

1082750-59-1 | (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL)ACETIC ACID

AG00968D

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CAS Number	1082750-59-1
Catalog Number	AG00968D
Chemical Name	(2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL)ACETIC ACID
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetic acid
InChI	InChI=1S/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14H,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChI Key	MQCLXWDVGKUKHB-AWEZNQCLSA-N
MDL Number	MFCD07371920
Molecular Formula	C17H19NO4
Molecular Weight	301.3371
SMILES	C(C)(C)(C)OC(=O)N[C@H](C(=O)O)C1=CC2=CC=CC=C2C=C1
Synonyms	1082750-59-1, (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL)ACETIC ACID, (S)-2-((tert-Butoxycarbonyl)amino)-2-(naphthalen-2-yl)acetic acid, SCHEMBL9952163, ZINC8699157, MFCD07371920, AKOS032954098, AB33275, AJ-58174, DS-20203, SC-73244, (2S)-N-(tert-Butoxycarbonyl)-2-(2-naphthyl)glycine, (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(2-NAPHTHYL),

Complexity	415
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	301.131g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.342g/mol
Monoisotopic Mass	301.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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