2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C8H11F3N2O3 — CID 79793297

IUPAC2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)NC1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-7(5(14)15,8(9,10)11)13-6(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUCPUOKRQXOFTCF-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.85
Rot. Bonds3

About 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79793297) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79793297
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)NC1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-7(5(14)15,8(9,10)11)13-6(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyUCPUOKRQXOFTCF-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79793297) is 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)NC1CC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is UCPUOKRQXOFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-7(5(14)15,8(9,10)11)13-6(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 240.18 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79793297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).