2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

C10H16F2N2O3 — CID 82763865

IUPAC2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCC(F)F
InChIInChI=1S/C10H16F2N2O3/c1-10(8(15)16)4-2-3-6(10)14-9(17)13-5-7(11)12/h6-7H,2-5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAALNYQGWLDAHPG-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.19
Rot. Bonds4

About 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763865) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763865
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCC(F)F
InChIInChI=1S/C10H16F2N2O3/c1-10(8(15)16)4-2-3-6(10)14-9(17)13-5-7(11)12/h6-7H,2-5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAALNYQGWLDAHPG-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82763865) is 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is AALNYQGWLDAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-10(8(15)16)4-2-3-6(10)14-9(17)13-5-7(11)12/h6-7H,2-5H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).