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Chemical ID: 6515213
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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