Chemical ID: 7123077

C1CC(N(C1)C(=O)CCC(=O)[O-])C(=O)N
Chemical ID:
7123077
Name [?]:
4-(2-carbamoylpyrrolidin-1-yl)-4-oxo-butanoate
SMILES [?]:
C1CC(N(C1)C(=O)CCC(=O)[O-])C(=O)N
InChi [?]:
InChI=1/C9H14N2O4/c10-9(15)6-2-1-5-11(6)7(12)3-4-8(13)14/h6H,1-5H2,(H2,10,15)(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,3,6,10,13,15,4,7,11,12,14/E:(13,14)/rA:15cCCCNCCOCCCOO-CON/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N2O4-
All Atoms:28
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-36.8024
Area:384.976
Solvation:-46.4268
Coulombic:-36.8859
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.211
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-2.0
LogP (Chemaxon):-1.55

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