2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid

C11H16F4N2O3 — CID 106294972

IUPAC2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C11H16F4N2O3/c12-8(13)11(14,15)6-17-9(20)16-5-10(2-1-3-10)4-7(18)19/h8H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyAUTRIJATLSAPII-UHFFFAOYSA-N
MW300.25 g/mol
LogP1.83
Rot. Bonds7

About 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 106294972) has the molecular formula C11H16F4N2O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID106294972
Molecular FormulaC11H16F4N2O3
Molecular Weight300.25 g/mol
Exact Mass300.11
IUPAC Name2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C11H16F4N2O3/c12-8(13)11(14,15)6-17-9(20)16-5-10(2-1-3-10)4-7(18)19/h8H,1-6H2,(H,18,19)(H2,16,17,20)
InChIKeyAUTRIJATLSAPII-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291709
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[(3-methylsulfanylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 113494169
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 106294972) is 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)NCC(F)(F)C(F)F)CCC1.
What is the InChIKey of 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is AUTRIJATLSAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O3/c12-8(13)11(14,15)6-17-9(20)16-5-10(2-1-3-10)4-7(18)19/h8H,1-6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 300.25 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 106294972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).