Chemical ID: 4899896

Cc1cccc(c1)NC(=O)NC(C(C)C)C(=O)O
Chemical ID:
4899896
Name [?]:
3-methyl-2-(m-tolylcarbamoylamino)butanoic acid
SMILES [?]:
Cc1cccc(c1)NC(=O)NC(C(C)C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.25325
Area:442.841
Solvation:-2.81778
Coulombic:-62.2163
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.92
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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