Chemical ID: 3999104

c1ccc(cc1)CC(C(=O)O)NC(=O)N
Chemical ID:
3999104
Name [?]:
3-phenyl-2-ureido-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,8,9,13,15,12,10,11,14/E:(2,3)(4,5)(13,14)/rA:15cCCCCCCCCCOONCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.59486
Area:385.601
Solvation:-3.04518
Coulombic:-66.315
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.19
LogP (Chemaxon):0.71

Name Annotations

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Descriptor Annotations

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