Chemical ID: 4097425

CC(C)(C)OC(=O)NC(CO)C(=O)OC
Chemical ID:
4097425
Name [?]:
methyl 3-hydroxy-2-tert-butoxycarbonylamino-propanoate
SMILES [?]:
CC(C)(C)OC(=O)NC(CO)C(=O)OC
InChi [?]:
InChI=1/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,10,9,12,6,2,8,11,13,7,14,5/E:(1,2,3)/rA:15cCCCCOCONCCOCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.64009
Area:406.488
Solvation:-3.5221
Coulombic:-68.7427
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:219.235
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.28
LogP (Chemaxon):0.0

Name Annotations

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Descriptor Annotations

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