Chemical ID: 4119266

CC(C)Oc1ccc(cc1)C(=O)N2CCCC2C(=O)O
Chemical ID:
4119266
Name [?]:
1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)N2CCCC2C(=O)O
InChi [?]:
InChI=1/C15H19NO4/c1-10(2)20-12-7-5-11(6-8-12)14(17)16-9-3-4-13(16)15(18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,7,9,6,10,14,2,8,5,17,11,18,13,12,19,20,4/E:(1,2)(5,6)(7,8)(18,19)/rA:20cCCCOCCCCCCCONCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.53358
Area:467.413
Solvation:-4.15176
Coulombic:-51.5913
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.316
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):1.76

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Descriptor Annotations

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