Chemical ID: 4906007

CC(C(=O)O)NCCCCNC(C)C(=O)O
Chemical ID:
4906007
Name [?]:
2-[4-(1-carboxyethylamino)butylamino]propanoic acid
SMILES [?]:
CC(C(=O)O)NCCCCNC(C)C(=O)O
InChi [?]:
InChI=1/C10H20N2O4/c1-7(9(13)14)11-5-3-4-6-12-8(2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,8,9,7,10,2,12,3,14,6,11,4,5,15,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16cCCCOONCCCCNCCCOO/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;s10;s11;s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20N2O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.69275
Area:459.425
Solvation:-3.79287
Coulombic:-70.6187
Bond Count [?]
All:15
Single:13
Double:2
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:232.277
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-0.03
LogP (Chemaxon):-4.84

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