Chemical ID: 7043177

CN(C)C(=O)CC1(CCCC1)CC(=O)Nc2ccc(c(c2)C(=O)O)O
Chemical ID:
7043177
Name [?]:
5-[2-[1-(dimethylcarbamoylmethyl)cyclopentyl]acetyl]amino-2-hydroxy-benzoic acid
SMILES [?]:
CN(C)C(=O)CC1(CCCC1)CC(=O)Nc2ccc(c(c2)C(=O)O)O
InChi [?]:
InChI=1/C18H24N2O5/c1-20(2)16(23)11-18(7-3-4-8-18)10-15(22)19-12-5-6-14(21)13(9-12)17(24)25/h5-6,9,21H,3-4,7-8,10-11H2,1-2H3,(H,19,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,17,18,8,11,21,12,6,16,20,19,13,4,22,7,15,2,25,14,5,23,24/E:(1,2)(3,4)(7,8)(24,25)/rA:25nCNCCOCCCCCCCCONCCCCCCCOOO/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O5
All Atoms:49
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.25274
Area:549.785
Solvation:-4.49189
Coulombic:-77.9446
Bond Count [?]
All:26
Single:20
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.394
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.83
LogP (Chemaxon):2.12

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Descriptor Annotations

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