3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid

C12H19F3N2O3 — CID 79801010

IUPAC3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1C(C)(C)C1(C)C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-9(2)6(10(9,3)4)16-8(20)17-11(5,7(18)19)12(13,14)15/h6H,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyUEDQABRNENDDOG-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.13
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 79801010) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID79801010
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)NC1C(C)(C)C1(C)C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-9(2)6(10(9,3)4)16-8(20)17-11(5,7(18)19)12(13,14)15/h6H,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyUEDQABRNENDDOG-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid (CID 79801010) is 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid is CC(NC(=O)NC1C(C)(C)C1(C)C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is UEDQABRNENDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-9(2)6(10(9,3)4)16-8(20)17-11(5,7(18)19)12(13,14)15/h6H,1-5H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 79801010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).