Chemical ID: 5280671

CC(C)C(C(=O)O)NC(=O)N(C)Cc1ccccc1
Chemical ID:
5280671
Name [?]:
2-(benzyl-methyl-carbamoyl)amino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C14H20N2O3/c1-10(2)12(13(17)18)15-14(19)16(3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,12,17,16,18,15,19,13,2,14,4,5,9,8,11,6,7,10/E:(1,2)(5,6)(7,8)(17,18)/rA:19cCCCCCOONCONCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.13829
Area:448.534
Solvation:-3.07506
Coulombic:-58.7775
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.32
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):2.16

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Descriptor Annotations

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