Chemical ID: 3965799

CC(C)(CO)C(C(=O)NCCC(=O)O)O
Chemical ID:
3965799
Name [?]:
3-(2,4-dihydroxy-3,3-dimethyl-butanoyl)aminopropanoic acid
SMILES [?]:
CC(C)(CO)C(C(=O)NCCC(=O)O)O
InChi [?]:
InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,4,12,6,7,2,9,5,13,14,15,8/E:(1,2)(12,13)/rA:15cCCCCOCCONCCCOOO/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;s11;d12;s12;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.3459
Area:404.708
Solvation:-4.77179
Coulombic:-79.7861
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:219.235
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-1.34
LogP (Chemaxon):-0.71

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Descriptor Annotations

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