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Chemical ID: 4258661
Chemical ID:
4258661
Name [?]:
2-amino-6-benzyloxycarbonylamino-hexanoic acid
SMILES [?]:
c1ccc(cc1)COC(=O)NCCCCC(C(=O)O)N
InChi [?]:
InChI=1/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,3,5,15,12,7,4,16,17,9,20,11,18,19,10,8/E:(2,3)(6,7)(17,18)/rA:20cCCCCCCCOCONCCCCCCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0631 |
Area: | 528.754 |
Solvation: | -3.15578 |
Coulombic: | -74.333 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.32 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.79 |
LogP (Chemaxon): | -0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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