Chemical ID: 6681233

CCOc1ccc(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C
Chemical ID:
6681233
Name [?]:
3-(4-ethoxyphenyl)-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CCOc1ccc(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C16H23NO5/c1-5-21-12-8-6-11(7-9-12)10-13(14(18)19)17-15(20)22-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,2,6,8,5,9,10,7,4,11,12,16,19,15,13,14,17,3,18/E:(2,3,4)(6,7)(8,9)(18,19)/rA:22cCCOCCCCCCCCCOONCOOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s11;s15;d16;s16;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.18378
Area:531.741
Solvation:-4.10974
Coulombic:-68.1945
Bond Count [?]
All:22
Single:17
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.358
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.87
LogP (Chemaxon):2.53

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Descriptor Annotations

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