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Chemical ID: 5788784
Chemical ID:
5788784
Name [?]:
1-[1-(2-aminoacetyl)pyrrolidin-2-yl]carbonyl-4-hydroxy-pyrrolidine-2-carboxylic acid
SMILES [?]:
C1CC(N(C1)C(=O)CN)C(=O)N2CC(CC2C(=O)O)O
InChi [?]:
InChI=1/C12H19N3O5/c13-5-10(17)14-3-1-2-8(14)11(18)15-6-7(16)4-9(15)12(19)20/h7-9,16H,1-6,13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,15,8,13,14,3,16,6,10,17,9,4,12,20,7,11,18,19/E:(19,20)/rA:20cCCCNCCOCNCONCCCCCOOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s3;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 3.99501 |
Area: | 446.622 |
Solvation: | -7.17055 |
Coulombic: | -84.0074 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.296 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | -2.37 |
LogP (Chemaxon): | -6.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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