Chemical ID: 4119370

c1ccc(c(c1)N)NC(=O)CCC(=O)O
Chemical ID:
4119370
Name [?]:
4-(2-aminophenyl)amino-4-oxo-butanoic acid
SMILES [?]:
c1ccc(c(c1)N)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C10H12N2O3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,5,4,9,13,7,8,10,14,15/E:(14,15)/rA:15nCCCCCCNNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.79003
Area:391.521
Solvation:-2.99799
Coulombic:-61.4615
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.17
LogP (Chemaxon):0.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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