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Chemical ID: 5162043
Chemical ID:
5162043
Name [?]:
3-hydroxy-N-(2-hydroxy-1,1-dimethyl-ethyl)-propanamide
SMILES [?]:
CC(C)(CO)NC(=O)CCO
InChi [?]:
InChI=1/C7H15NO3/c1-7(2,5-10)8-6(11)3-4-9/h9-10H,3-5H2,1-2H3,(H,8,11)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,4,7,2,6,11,5,8/E:(1,2)/rA:11nCCCCONCOCCO/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.861 |
Area: | 332.456 |
Solvation: | -3.4504 |
Coulombic: | -53.1393 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 161.199 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -1.0 |
LogP (Chemaxon): | -1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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