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Chemical ID: 5276955
Chemical ID:
5276955
Name [?]:
2-(dicyclohexylcarbamoylamino)propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)N(C1CCCCC1)C2CCCCC2
InChi [?]:
InChI=1/C16H28N2O3/c1-12(15(19)20)17-16(21)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,19,12,14,18,20,11,15,17,21,2,10,16,3,7,6,9,4,5,8/E:(2,3)(4,5,6,7)(8,9,10,11)(13,14)(19,20)/rA:21cCCCOONCONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s9;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0889 |
Area: | 480.236 |
Solvation: | -1.91697 |
Coulombic: | -59.08 |
Bond Count [?]
All: | 22 |
Single: | 20 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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