Chemical ID: 5104719

CC(C)C(C(=O)O)NC(=O)C1(CCCC1)N
Chemical ID:
5104719
Name [?]:
2-(1-aminocyclopentyl)carbonylamino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)C1(CCCC1)N
InChi [?]:
InChI=1/C11H20N2O3/c1-7(2)8(9(14)15)13-10(16)11(12)5-3-4-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,15,2,4,5,9,11,16,8,6,7,10/E:(1,2)(3,4)(5,6)(14,15)/rA:16cCCCCCOONCOCCCCCN/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s11s14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H20N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.50538
Area:402.662
Solvation:-2.56117
Coulombic:-61.4774
Bond Count [?]
All:16
Single:14
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:228.288
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.18
LogP (Chemaxon):-2.17

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Descriptor Annotations

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