Chemical ID: 3993600

CCC(C)C(C(=O)O)NC(=O)N
Chemical ID:
3993600
Name [?]:
3-methyl-2-ureido-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)N
InChi [?]:
InChI=1/C7H14N2O3/c1-3-4(2)5(6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,5,6,10,12,9,7,8,11/E:(10,11)/rA:12cCCCCCCOONCON/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.12024
Area:344.722
Solvation:-2.4978
Coulombic:-65.9059
Bond Count [?]
All:11
Single:9
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:174.198
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.04
LogP (Chemaxon):0.29

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