2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid

C7H12FNO2 — CID 130504698

IUPAC2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCF
InChIInChI=1S/C7H12FNO2/c8-3-4-9-6-2-1-5(6)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyPTXWFBAZBAXPKG-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.41
Rot. Bonds4

About 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid

2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid (PubChem CID 130504698) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
PubChem CID130504698
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCF
InChIInChI=1S/C7H12FNO2/c8-3-4-9-6-2-1-5(6)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyPTXWFBAZBAXPKG-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 103260441
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849
2-(2-morpholin-4-ylethylamino)cyclobutane-1-carboxylic acid
CID 103235780
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103247072
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid (CID 130504698) is 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCF.
What is the InChIKey of 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is PTXWFBAZBAXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-3-4-9-6-2-1-5(6)7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid?
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130504698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).