Chemical ID: 6516551

CC(C(C(=O)O)NC(=O)OCc1ccccc1)OC(C)(C)C
Chemical ID:
6516551
Name [?]:
2-benzyloxycarbonylamino-3-tert-butoxy-butanoic acid
SMILES [?]:
CC(C(C(=O)O)NC(=O)OCc1ccccc1)OC(C)(C)C
InChi [?]:
InChI=1/C16H23NO5/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,15,14,16,13,17,11,2,12,3,4,8,19,7,5,6,9,10,18/E:(2,3,4)(6,7)(8,9)(18,19)/rA:22cCCCCOONCOOCCCCCCCOCCCC/rB:s1;s2;s3;d4;s4;s3;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s2;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.94127
Area:520.655
Solvation:-4.07509
Coulombic:-69.6194
Bond Count [?]
All:22
Single:17
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:309.358
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.65
LogP (Chemaxon):2.43

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