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Chemical ID: 5255263
Chemical ID:
5255263
Name [?]:
methyl 2-(2-amino-3-methyl-pentanoyl)aminoacetate
SMILES [?]:
CCC(C)C(C(=O)NCC(=O)OC)N
InChi [?]:
InChI=1/C9H18N2O3/c1-4-6(2)8(10)9(13)11-5-7(12)14-3/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,4,13,2,9,3,10,5,6,14,8,11,7,12/rA:14cCCCCCCONCCOOCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s10;s12;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.28964 |
Area: | 403.493 |
Solvation: | -2.79769 |
Coulombic: | -52.2967 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 202.251 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.06 |
LogP (Chemaxon): | -0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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