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

C11H17F3N2O3 — CID 79801880

IUPAC2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)NCC1CCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(8(17)18,11(12,13)14)16-9(19)15-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyTXNVAWUOVWNINZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.88
Rot. Bonds4

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

2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79801880) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79801880
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)NCC1CCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(8(17)18,11(12,13)14)16-9(19)15-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyTXNVAWUOVWNINZ-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79801880) is 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)NCC1CCCC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is TXNVAWUOVWNINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(8(17)18,11(12,13)14)16-9(19)15-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79801880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).