Chemical ID: 6692171

CC(C)(C)OC(=O)CCN
Chemical ID:
6692171
Name [?]:
tert-butyl 3-aminopropanoate
SMILES [?]:
CC(C)(C)OC(=O)CCN
InChi [?]:
InChI=1/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,8,9,6,2,10,7,5/E:(1,2,3)/rA:10nCCCCOCOCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.4429
Area:318.046
Solvation:-1.50825
Coulombic:-30.2988
Bond Count [?]
All:9
Single:8
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:145.2
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.6
LogP (Chemaxon):-0.02

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Experimental Annotations

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Descriptor Annotations

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