Chemical ID: 5232203

CC(C)(C)C(=O)NC(Cc1c[nH]cn1)C(=O)O
Chemical ID:
5232203
Name [?]:
2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid
SMILES [?]:
CC(C)(C)C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChi [?]:
InChI=1/C11H17N3O3/c1-11(2,3)10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,11,13,10,8,15,5,2,12,14,7,16,17,6/E:(1,2,3)(15,16)/rA:17cCCCCCONCCCCNCNCOO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;s12;s10d13;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N3O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.78908
Area:413.349
Solvation:-3.54464
Coulombic:-61.7771
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.271
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.07
LogP (Chemaxon):-1.21

Name Annotations

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Descriptor Annotations

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