Chemical ID: 4258661

c1ccc(cc1)COC(=O)NCCCCC(C(=O)O)N
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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Descriptor Annotations

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