1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C11H18F2N2O4 — CID 114128629

IUPAC1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCOCC(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18F2N2O4/c12-8(13)7-19-6-5-14-10(18)15-11(9(16)17)3-1-2-4-11/h8H,1-7H2,(H,16,17)(H2,14,15,18)
InChIKeyDSPTXOMLLOMCMA-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.96
Rot. Bonds7

About 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114128629) has the molecular formula C11H18F2N2O4 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114128629
Molecular FormulaC11H18F2N2O4
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCOCC(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18F2N2O4/c12-8(13)7-19-6-5-14-10(18)15-11(9(16)17)3-1-2-4-11/h8H,1-7H2,(H,16,17)(H2,14,15,18)
InChIKeyDSPTXOMLLOMCMA-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55009558
1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61205693
1-[3-(2,2,2-Trifluoroethoxy)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 61491412
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 61492157
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61492705
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 61492706
2-Cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 61492741
1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61607285
1-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61607290
1-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61607580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 114128629) is 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is O=C(NCCOCC(F)F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DSPTXOMLLOMCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O4/c12-8(13)7-19-6-5-14-10(18)15-11(9(16)17)3-1-2-4-11/h8H,1-7H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114128629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).