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Chemical ID: 5288659
Chemical ID:
5288659
Name [?]:
2-(dipropylcarbamoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CCCN(CCC)C(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C13H26N2O3/c1-5-7-15(8-6-2)13(18)14-11(12(16)17)9-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,14,15,2,6,3,5,12,13,11,16,8,10,4,17,18,9/E:(1,2)(3,4)(5,6)(7,8)(16,17)/rA:18cCCCNCCCCONCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.4238 |
Area: | 485.596 |
Solvation: | -2.71609 |
Coulombic: | -58.5188 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 258.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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