Chemical ID: 5326867

CCC(CCC(=O)O)(C(=O)O)N
Chemical ID:
5326867
Name [?]:
4-amino-4-ethyl-pentanedioic acid
SMILES [?]:
CCC(CCC(=O)O)(C(=O)O)N
InChi [?]:
InChI=1/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,9,3,12,7,8,10,11/E:(9,10)(11,12)/rA:12cCCCCCCOOCOON/rB:s1;s2;s3;s4;s5;d6;s6;s3;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13NO4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:5.74625
Area:340.107
Solvation:-2.75642
Coulombic:-64.7176
Bond Count [?]
All:11
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:175.182
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-2.88
LogP (Chemaxon):-2.62

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