Chemical ID: 6515213

c1cc(ccc1NC(=O)NC(CCC(=O)N)C(=O)O)Cl
Chemical ID:
6515213
Name [?]:
5-amino-2-[(4-chlorophenyl)carbamoylamino]-5-oxo-pentanoic acid
SMILES [?]:
c1cc(ccc1NC(=O)NC(CCC(=O)N)C(=O)O)Cl
InChi [?]:
InChI=1/C12H14ClN3O4/c13-7-1-3-8(4-2-7)15-12(20)16-9(11(18)19)5-6-10(14)17/h1-4,9H,5-6H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,13,3,6,11,14,17,8,20,16,7,10,15,18,19,9/E:(1,2)(3,4)(18,19)/rA:20cCCCCCCNCONCCCCONCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s14;s11;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClN3O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.24908
Area:506.376
Solvation:-4.41032
Coulombic:-84.8197
Bond Count [?]
All:20
Single:14
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.71
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:0.19
LogP (Chemaxon):0.71

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