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Chemical ID: 4963634
Chemical ID:
4963634
Name [?]:
2-amino-5-butylamino-5-oxo-pentanoic acid
SMILES [?]:
CCCCNC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C9H18N2O3/c1-2-3-6-11-8(12)5-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,4,10,6,11,14,5,7,12,13/E:(13,14)/rA:14cCCCCNCOCCCCOON/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.17423 |
Area: | 418.449 |
Solvation: | -3.287 |
Coulombic: | -58.4772 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.251 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -2.21 |
LogP (Chemaxon): | -2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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