Chemical ID: 6692448

CC(C)(C)OC(=O)NC(CCO)C(=O)O
Chemical ID:
6692448
Name [?]:
4-hydroxy-2-tert-butoxycarbonylamino-butanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CCO)C(=O)O
InChi [?]:
InChI=1/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,9,13,6,2,8,12,14,15,7,5/E:(1,2,3)(12,13)/rA:15cCCCCOCONCCCOCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.45574
Area:407.699
Solvation:-3.73673
Coulombic:-75.9987
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:219.235
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.32
LogP (Chemaxon):0.02

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Descriptor Annotations

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