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Chemical ID: 5129150
Chemical ID:
5129150
Name [?]:
4-amino-3-benzamido-4-oxo-butanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)NC(CC(=O)O)C(=O)N
InChi [?]:
InChI=1/C11H12N2O4/c12-10(16)8(6-9(14)15)13-11(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,16)(H,13,17)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,10,12,15,7,17,9,13,14,16,8/E:(2,3)(4,5)(14,15)/rA:17cCCCCCCCONCCCOOCON/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s12;s10;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.02879 |
Area: | 419.993 |
Solvation: | -4.47104 |
Coulombic: | -71.8017 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.224 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.28 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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