Chemical ID: 3965372

CC(CC(=O)O)(C(=O)O)N
Chemical ID:
3965372
Name [?]:
3-amino-3-methyl-butanedioic acid
SMILES [?]:
CC(CC(=O)O)(C(=O)O)N
InChi [?]:
InChI=1/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,10,5,6,8,9/E:(7,8)(9,10)/rA:10cCCCCOOCOON/rB:s1;s2;s3;d4;s4;s2;d7;s7;s2;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H9NO4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.49507
Area:292.063
Solvation:-2.80651
Coulombic:-63.6255
Bond Count [?]
All:9
Single:7
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:147.129
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-3.6
LogP (Chemaxon):-3.28

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Descriptor Annotations

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