Chemical ID: 5028873

CCC(C)NCC(=O)O
Chemical ID:
5028873
Name [?]:
2-sec-butylaminoacetic acid
SMILES [?]:
CCC(C)NCC(=O)O
InChi [?]:
InChI=1/C6H13NO2/c1-3-5(2)7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,3,7,5,8,9/E:(8,9)/rA:9cCCCCNCCOO/rB:s1;s2;s3;s3;s5;s6;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:5.5667
Area:304.548
Solvation:-2.047
Coulombic:-35.1916
Bond Count [?]
All:8
Single:7
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:131.173
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.45
LogP (Chemaxon):-1.9

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Experimental Annotations

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Descriptor Annotations

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