Chemical ID: 3968004

CC(C)(CO)C(C(=O)NCCCO)O
Chemical ID:
3968004
Name [?]:
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(CO)C(C(=O)NCCCO)O
InChi [?]:
InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,4,6,7,2,9,13,5,14,8/E:(1,2)/rA:14cCCCCOCCONCCCOO/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;s11;s12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.22459
Area:394.502
Solvation:-4.63795
Coulombic:-71.3161
Bond Count [?]
All:13
Single:12
Double:1
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:205.251
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.23
LogP (Chemaxon):-0.82

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Descriptor Annotations

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