Chemical ID: 7177144

CCC(C)N1CC(CC1=O)C(=O)O
Chemical ID:
7177144
Name [?]:
5-oxo-1-sec-butyl-pyrrolidine-3-carboxylic acid
SMILES [?]:
CCC(C)N1CC(CC1=O)C(=O)O
InChi [?]:
InChI=1/C9H15NO3/c1-3-6(2)10-5-7(9(12)13)4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,2,8,6,3,7,9,11,5,10,12,13/E:(12,13)/rA:13cCCCCNCCCCOCOO/rB:s1;s2;s3;s3;s5;s6;s7;s5s8;d9;s7;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO3
All Atoms:28
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:6.19953
Area:354.136
Solvation:-2.65387
Coulombic:-40.4944
Bond Count [?]
All:13
Single:11
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:185.22
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.12
LogP (Chemaxon):0.3

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Descriptor Annotations

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