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Chemical ID: 4260293
Chemical ID:
4260293
Name [?]:
2-benzyloxycarbonylamino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,4,13,2,14,5,6,10,9,7,8,11,12/E:(1,2)(4,5)(6,7)(16,17)/rA:19cCCCCCCOONCOOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34183 |
Area: | 486.491 |
Solvation: | -2.82045 |
Coulombic: | -62.494 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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