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

C7H11F3N2O3 — CID 79792020

IUPAC2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-3-11-5(15)12-6(2,4(13)14)7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyLBZAMQNVJBVPOE-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.71
Rot. Bonds3

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

2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792020) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792020
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-3-11-5(15)12-6(2,4(13)14)7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyLBZAMQNVJBVPOE-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792020) is 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CCNC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is LBZAMQNVJBVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-3-11-5(15)12-6(2,4(13)14)7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 228.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).