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Chemical ID: 5074570
Chemical ID:
5074570
Name [?]:
methyl 2-amino-6-benzyloxycarbonylamino-hexanoate
SMILES [?]:
COC(=O)C(CCCCNC(=O)OCc1ccccc1)N
InChi [?]:
InChI=1/C15H22N2O4/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,7,8,16,20,6,9,14,15,5,3,11,21,10,4,12,2,13/E:(3,4)(7,8)/rA:21cCOCOCCCCCNCOOCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6423 |
Area: | 553.654 |
Solvation: | -3.19906 |
Coulombic: | -66.5865 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 294.346 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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