Chemical ID: 7177234

c1cnccc1CN2CC(CC2=O)C(=O)O
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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Descriptor Annotations

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