1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

C10H15F3N2O3 — CID 82762728

IUPAC1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)4-2-3-6(9)15-8(18)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCQFGLHHUMYCDEL-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.49
Rot. Bonds3

About 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762728) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82762728
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)4-2-3-6(9)15-8(18)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCQFGLHHUMYCDEL-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-2-[(methylcarbamoylamino)methyl]hexanoic acid
CID 23326942
5,5-Dimethyl-4-[2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]hexanoic acid
CID 64359729
4-Methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64364618
2-[1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701412
2-[1-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentyl]acetic acid
CID 64701682
2-[1-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702452
2-(3,3,3-Trifluoropropanoylamino)cyclopentane-1-carboxylic acid
CID 64813039
2-(Trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 64813712
2-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816738
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817129

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82762728) is 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CQFGLHHUMYCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(7(16)17)4-2-3-6(9)15-8(18)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).