Chemical ID: 4752142

c1ccc2c(c1)CC(C2)NC(=O)CCC(=O)O
Chemical ID:
4752142
Name [?]:
4-indan-2-ylamino-4-oxo-butanoic acid
SMILES [?]:
c1ccc2c(c1)CC(C2)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C13H15NO3/c15-12(5-6-13(16)17)14-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,7,9,5,4,8,11,15,10,12,16,17/E:(1,2)(3,4)(7,8)(9,10)(16,17)/rA:17nCCCCCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s8;s10;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.97675
Area:432.496
Solvation:-2.83564
Coulombic:-46.1399
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.263
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.83
LogP (Chemaxon):1.09

Name Annotations

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Descriptor Annotations

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