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Chemical ID: 3993600
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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