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Chemical ID: 6516011
Chemical ID:
6516011
Name [?]:
3-(2-amino-4-methyl-pentanoyl)aminopropanoic acid
SMILES [?]:
CC(C)CC(C(=O)NCCC(=O)O)N
InChi [?]:
InChI=1/C9H18N2O3/c1-6(2)5-7(10)9(14)11-4-3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,4,2,5,11,6,14,8,12,13,7/E:(1,2)(12,13)/rA:14cCCCCCCONCCCOON/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s11;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.24468 |
Area: | 410.057 |
Solvation: | -3.00674 |
Coulombic: | -58.7996 |
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): | -3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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