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

C10H15F3N2O3 — CID 64817681

IUPAC2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-4-2-3-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyRRPPVBIGUOHJPB-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.44
Rot. Bonds3

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

2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64817681) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64817681
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-4-2-3-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyRRPPVBIGUOHJPB-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64817681) is 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RRPPVBIGUOHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-4-2-3-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).