2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid

C10H15F3N2O3 — CID 114159452

IUPAC2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-3-8(2,6(16)17)14-7(18)15-9(4-5-9)10(11,12)13/h3-5H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYSUCZZUAMUTHKA-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid

2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid (PubChem CID 114159452) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid
PubChem CID114159452
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-3-8(2,6(16)17)14-7(18)15-9(4-5-9)10(11,12)13/h3-5H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYSUCZZUAMUTHKA-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid with MolForge

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Related Compounds

1-(Carbamoylamino)cyclopropane-1-carboxylic acid
CID 55290311
2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 16782299
1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
2-(Tert-butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792465
2-(Cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793297
3,3,3-Trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid
CID 79798961
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800904
2-Methyl-2-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 79801071
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801363
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801441
3,3,3-Trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 79801539
2-(3-Ethylpentan-3-ylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid (CID 114159452) is 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid is CCC(C)(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid?
The InChIKey is YSUCZZUAMUTHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-8(2,6(16)17)14-7(18)15-9(4-5-9)10(11,12)13/h3-5H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid?
2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 114159452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).