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Chemical ID: 5287541
Chemical ID:
5287541
Name [?]:
2-[(4-methylcyclohexyl)carbamoylamino]propanoic acid
SMILES [?]:
CC1CCC(CC1)NC(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C11H20N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,2,12,5,14,9,11,8,15,16,10/E:(3,4)(5,6)(14,15)/rA:16cCCCCCCCNCONCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.47857 |
Area: | 424.63 |
Solvation: | -2.13719 |
Coulombic: | -62.5268 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.288 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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