Chemical ID: 5074570

COC(=O)C(CCCCNC(=O)OCc1ccccc1)N
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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