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Chemical ID: 7177234
Chemical ID:
7177234
Name [?]:
5-oxo-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic acid
SMILES [?]:
c1cnccc1CN2CC(CC2=O)C(=O)O
InChi [?]:
InChI=1/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,7,9,6,10,12,14,3,8,13,15,16/E:(1,2)(3,4)(15,16)/rA:16cCCNCCCCNCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;d12;s10;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.09403 |
Area: | 394.443 |
Solvation: | -3.76704 |
Coulombic: | -44.3533 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.66 |
LogP (Chemaxon): | -1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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