Chemical ID: 5272980

CCc1ccccc1NC(=O)NC(CC(C)C)C(=O)O
Chemical ID:
5272980
Name [?]:
2-[(2-ethylphenyl)carbamoylamino]-4-methyl-pentanoic acid
SMILES [?]:
CCc1ccccc1NC(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C15H22N2O3/c1-4-11-7-5-6-8-12(11)16-15(20)17-13(14(18)19)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,5,6,4,7,14,15,3,8,13,18,10,9,12,19,20,11/E:(2,3)(18,19)/rA:20cCCCCCCCCNCONCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s15;s13;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.5293
Area:494.89
Solvation:-2.84295
Coulombic:-62.9325
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.347
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):2.84

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