Chemical ID: 5004768

CC(C)CC(C(=O)O)NCCC#N
Chemical ID:
5004768
Name [?]:
2-(2-cyanoethylamino)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NCCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H16N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.13793
Area:391.825
Solvation:-2.6577
Coulombic:-38.0614
Bond Count [?]
All:12
Single:10
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:184.236
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.82
LogP (Chemaxon):-1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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