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Chemical ID: 6046415
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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