Chemical ID: 6046415

CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O)O
Chemical ID:
6046415
Name [?]:
1-[2-(1-carboxy-3-phenyl-propyl)aminopropanoyl]pyrrolidine-2-carboxylic acid
SMILES [?]:
CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O)O
InChi [?]:
InChI=1/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,7,18,22,8,16,15,6,2,17,14,9,3,23,10,13,5,4,24,25,11,12/E:(3,4)(6,7)(22,23)(24,25)/rA:25cCCCONCCCCCOONCCCCCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s2;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s14;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:8.63666
Area:567.527
Solvation:-5.55152
Coulombic:-78.8255
Bond Count [?]
All:26
Single:20
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:348.394
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.37
LogP (Chemaxon):-1.12

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