Chemical ID: 4963634

CCCCNC(=O)CCC(C(=O)O)N
Chemical ID:
4963634
Name [?]:
2-amino-5-butylamino-5-oxo-pentanoic acid
SMILES [?]:
CCCCNC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C9H18N2O3/c1-2-3-6-11-8(12)5-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,4,10,6,11,14,5,7,12,13/E:(13,14)/rA:14cCCCCNCOCCCCOON/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.17423
Area:418.449
Solvation:-3.287
Coulombic:-58.4772
Bond Count [?]
All:13
Single:11
Double:2
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:202.251
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-2.21
LogP (Chemaxon):-2.61

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