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Chemical ID: 7229269
Chemical ID:
7229269
Name [?]:
2-(2-azaniumyl-3-methyl-pentanoyl)aminopropanoate
SMILES [?]:
CCC(C)C(C(=O)NC(C)C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,10,2,3,9,5,6,11,14,8,7,12,13/E:(13,14)/rA:14cCCCCCCONCCCOO-N+/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s9;d11;s11;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -47.7782 |
Area: | 383.122 |
Solvation: | -57.3562 |
Coulombic: | -1.58966 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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