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Chemical ID: 6487517

Chemical ID:

6487517

Name [?]:

ethyl 2-benzyloxycarbonylamino-3-(4-hydroxyphenyl)-propanoate

SMILES [?]:

CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc2ccccc2

InChi [?]:

InChI=1/C19H21NO5/c1-2-24-18(22)17(12-14-8-10-16(21)11-9-14)20-19(23)25-13-15-6-4-3-5-7-15/h3-11,17,21H,2,12-13H2,1H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,2,23,22,24,21,25,9,13,10,12,7,19,8,20,11,6,4,16,15,14,5,17,3,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25cCCOCOCCCCCCCCONCOOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₅
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7194
Area:	594.197
Solvation:	-4.13556
Coulombic:	-70.7174

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	343.374
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.28
LogP (Chemaxon):	3.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value