AG00IBYL

69651-48-5 | Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, (aS)-

AG00IBYL

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CAS Number	69651-48-5
Catalog Number	AG00IBYL(AGN-PC-0TWCYQ)
Chemical Name	Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, (aS)-
IUPAC Name	(2S)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI	InChI=1S/C13H17NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChI Key	LRWJRIFKJPPAPM-JTQLQIEISA-N
MDL Number	MFCD01860630
Molecular Formula	C13H17NO5
Molecular Weight	267.2778
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)C1=CC=C(O)C=C1
Synonyms	69651-48-5, (2S)-[(tert-butoxycarbonyl)amino](4-hydroxyphenyl)ethanoic acid, (S)-2-((tert-butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetic acid, SCHEMBL191986, N-Boc-4-hydroxyphenyl-l-glycine, (2S)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, LRWJRIFKJPPAPM-JTQLQIEISA-N, KS-00000TH1, ZINC2385566, MFCD01860630, AKOS027254863, AB10042, AJ-35159, AM805370, AS-10075, SC-82728, CS-0036299, (S)-tert-butoxycarbonylamino-(4-hydroxyphenyl)acetic acid, (2S)-[(tert-butoxycarbonyl)amino](4-hydroxyphenyl)acetic acid, (S)-TERT-BUTOXYCARBONYLAMINO-(4-HYDROXY-PHENYL)-ACETIC ACID, (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-HYDROXYPHENYL)ACETIC ACID, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-HYDROXYPHENYL)ACETIC ACID, Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, (aS)-, Boc-4-hydroxy-D-phenylglycine, CID11300124, Boc-(S)-2-amino-2-(4-hydroxyphenyl)acetic acid, tert-butoxycarbonylamino-(4-hydroxy-phenyl)-acetic acid, 2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid, 27460-85-1,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	267.111g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	267.281g/mol
Monoisotopic Mass	267.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

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