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Chemical ID: 6356827
Chemical ID:
6356827
Name [?]:
5-oxo-5-pentylamino-pentanoic acid
SMILES [?]:
CCCCCNC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C10H19NO3/c1-2-3-4-8-11-9(12)6-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,9,11,5,7,12,6,8,13,14/E:(13,14)/rA:14nCCCCCNCOCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60786 |
Area: | 431.533 |
Solvation: | -3.18046 |
Coulombic: | -45.7234 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 201.263 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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