Chemical ID: 4587343

COc1ccc(cc1)C(=O)N2CCCC2C(=O)O
Chemical ID:
4587343
Name [?]:
1-(4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCCC2C(=O)O
InChi [?]:
InChI=1/C13H15NO4/c1-18-10-6-4-9(5-7-10)12(15)14-8-2-3-11(14)13(16)17/h4-7,11H,2-3,8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,5,7,4,8,12,6,3,15,9,16,11,10,17,18,2/E:(4,5)(6,7)(16,17)/rA:18cCOCCCCCCCONCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.21112
Area:419.649
Solvation:-4.28011
Coulombic:-51.0633
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.263
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):1.0

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