Chemical ID: 6638111

c1ccc2c(c1)cccc2NC(=O)CCC(C(=O)O)N
Chemical ID:
6638111
Name [?]:
2-amino-5-(1-naphthylamino)-5-oxo-pentanoic acid
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C15H16N2O3/c16-12(15(19)20)8-9-14(18)17-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9,16H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,15,14,5,4,16,10,12,17,20,11,13,18,19/E:(19,20)/rA:20cCCCCCCCCCCNCOCCCCOON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.48627
Area:472.922
Solvation:-3.33677
Coulombic:-59.7766
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.299
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.73
LogP (Chemaxon):-0.66

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