Chemical ID: 7177230

c1cc(cnc1)CN2CC(CC2=O)C(=O)O
Chemical ID:
7177230
Name [?]:
5-oxo-1-(3-pyridylmethyl)pyrrolidine-3-carboxylic acid
SMILES [?]:
c1cc(cnc1)CN2CC(CC2=O)C(=O)O
InChi [?]:
InChI=1/C11H12N2O3/c14-10-4-9(11(15)16)7-13(10)6-8-2-1-3-12-5-8/h1-3,5,9H,4,6-7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,4,7,9,3,10,12,14,5,8,13,15,16/E:(15,16)/rA:16cCCCCNCCNCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s3;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:6.08128
Area:394.389
Solvation:-3.77845
Coulombic:-44.5119
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):-1.51

Name Annotations

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Descriptor Annotations

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