3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C11H17F3N2O3 — CID 66031638

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyZYHDKUSXPQSGBW-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds4

About 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66031638) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66031638
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyZYHDKUSXPQSGBW-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61437333
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
2-[(3-methylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266181
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113364245

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66031638) is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZYHDKUSXPQSGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).