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Chemical ID: 6516551
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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