Chemical ID: 3965340

CC(C)CC(C(=O)O)NC(=O)CCN
Chemical ID:
3965340
Name [?]:
2-(3-aminopropanoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)CCN
InChi [?]:
InChI=1/C9H18N2O3/c1-6(2)5-7(9(13)14)11-8(12)3-4-10/h6-7H,3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,4,2,5,10,6,14,9,11,7,8/E:(1,2)(13,14)/rA:14cCCCCCCOONCOCCN/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.12448
Area:399.792
Solvation:-2.87033
Coulombic:-59.3372
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:202.251
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.11
LogP (Chemaxon):-3.16

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