Chemical ID: 6671522

CC(C)C(C(=O)O)NC(=O)CCN
Chemical ID:
6671522
Name [?]:
2-(3-aminopropanoylamino)-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)CCN
InChi [?]:
InChI=1/C8H16N2O3/c1-5(2)7(8(12)13)10-6(11)3-4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,12,2,9,4,5,13,8,10,6,7/E:(1,2)(12,13)/rA:13cCCCCCOONCOCCN/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H16N2O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.44881
Area:369.52
Solvation:-2.78919
Coulombic:-59.2454
Bond Count [?]
All:12
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:188.224
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.67
LogP (Chemaxon):-3.49

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