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

C11H17F3N2O3 — CID 55009558

IUPAC1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyVEJMOQPDHJUNCP-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.98
Rot. Bonds4

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

1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 55009558) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID55009558
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyVEJMOQPDHJUNCP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Ethylcarbamoyl)amino)cyclopentane-1-carboxylic acid
CID 16790939
1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16794178
(2S)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 55009411
(2S)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009510
2-Cyclopropyl-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009559
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009705
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 55009803
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009850
(2S,3S)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009950
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 55010087
2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 61203639
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 61204013

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 55009558) is 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VEJMOQPDHJUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-16(7-11(12,13)14)9(19)15-10(8(17)18)5-3-4-6-10/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55009558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).