AG0039PV

361442-00-4 | (2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic acid

AG0039PV

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CAS Number	361442-00-4
Catalog Number	AG0039PV(AGN-PC-0RBNOY)
Chemical Name	(2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic acid
EC Number	700-361-0
IUPAC Name	(2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI	InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1
InChI Key	UKCKDSNFBFHSHC-ZEJPWUNMSA-N
MDL Number	MFCD16660445
Molecular Formula	C17H27NO5
Molecular Weight	325.4000
SMILES	C(C)(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3(CC(CC(C1)C3)C2)O
Synonyms	(2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid, 361442-00-4, BOC-3-Hydroxy-1-adamantyl-D-Glycine, (S)-N-Boc-3-hydroxyadamantylglycine, (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid, AK109477, (S)-2-(Boc-amino)-2-(3-hydroxy-1-adamantanyl)acetic Acid, SCHEMBL2110140, KS-00000PSI, UKCKDSNFBFHSHC-ZEJPWUNMSA-N, BCP02491, MFCD16660445, Boc-3-Hydroxy-1-adamantyl-L-glycine, ACN-026628, DS-4349, EX-7794, AX8226874, FT-0660428, (2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(3-hydroxyadamantan-1-yl)acetic acid, (alphaS)-alpha-[[(1,1-dimethylethoxy)carbonyl]-amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid, (alphaS)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1 3,7]decane-1-acetic acid, (alphaS)-alpha[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid, CID11723843, EC 700-361-0, (2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid, (2S)-((tert-Butoxycarbonyl)amino)(3-hydroxytricyclo(3.3.1.1 3,7)dec-1-yl)acetic acid, (2S)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid, (2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid,

Complexity	510
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	325.189g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	325.405g/mol
Monoisotopic Mass	325.189g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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