Chemical ID: 7177223

c1ccnc(c1)CN2CC(CC2=O)C(=O)O
Chemical ID:
7177223
Name [?]:
5-oxo-1-(2-pyridylmethyl)pyrrolidine-3-carboxylic acid
SMILES [?]:
c1ccnc(c1)CN2CC(CC2=O)C(=O)O
InChi [?]:
InChI=1/C11H12N2O3/c14-10-5-8(11(15)16)6-13(10)7-9-3-1-2-4-12-9/h1-4,8H,5-7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,9,7,10,5,12,14,4,8,13,15,16/E:(15,16)/rA:16cCCCNCCCNCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;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:5.65079
Area:394.251
Solvation:-4.2055
Coulombic:-44.272
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:-0.57
LogP (Chemaxon):-1.05

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Descriptor Annotations

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