Chemical ID: 5086833

CCC(C(=O)O)NC(=O)CN
Chemical ID:
5086833
Name [?]:
2-(2-aminoacetyl)aminobutanoic acid
SMILES [?]:
CCC(C(=O)O)NC(=O)CN
InChi [?]:
InChI=1/C6H12N2O3/c1-2-4(6(10)11)8-5(9)3-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,4,11,7,9,5,6/E:(10,11)/rA:11cCCCCOONCOCN/rB:s1;s2;s3;d4;s4;s3;s7;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.29375
Area:325.599
Solvation:-2.84624
Coulombic:-59.1929
Bond Count [?]
All:10
Single:8
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.171
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.13
LogP (Chemaxon):-3.75

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