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Chemical ID: 3965340
Chemical ID:
3965340
Name [?]:
2-(3-aminopropanoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)CCN
InChi [?]:
InChI=1/C9H18N2O3/c1-6(2)5-7(9(13)14)11-8(12)3-4-10/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,4,2,5,10,6,14,9,11,7,8/E:(1,2)(13,14)/rA:14cCCCCCCOONCOCCN/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.12448 |
Area: | 399.792 |
Solvation: | -2.87033 |
Coulombic: | -59.3372 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 202.251 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.11 |
LogP (Chemaxon): | -3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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