Chemical ID: 5129150

c1ccc(cc1)C(=O)NC(CC(=O)O)C(=O)N
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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Descriptor Annotations

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