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Chemical ID: 6681257

Chemical ID:

6681257

Name [?]:

methyl 3-(4-hydroxyphenyl)-2-tert-butoxycarbonylamino-propanoate

SMILES [?]:

CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)OC

InChi [?]:

InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)

InChi Info:

AuxInfo=1/1/N:1,3,4,21,12,16,13,15,10,11,14,9,18,6,2,8,17,19,7,20,5/E:(1,2,3)(5,6)(7,8)/rA:21cCCCCOCONCCCCCCCCOCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁NO₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.94023
Area:	507.386
Solvation:	-3.74442
Coulombic:	-69.016

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	295.331
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.45
LogP (Chemaxon):	2.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value