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Chemical ID: 4119844
Chemical ID:
4119844
Name [?]:
5-oxo-5-pyrrolidin-1-yl-pentanoic acid
SMILES [?]:
C1CCN(C1)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C9H15NO3/c11-8(4-3-5-9(12)13)10-6-1-2-7-10/h1-7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,5,3,6,11,4,7,12,13/E:(1,2)(6,7)(12,13)/rA:13nCCCNCCOCCCCOO/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.99041 |
Area: | 371.992 |
Solvation: | -3.30939 |
Coulombic: | -39.8802 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 185.22 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.09 |
LogP (Chemaxon): | -0.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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