5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid

C12H17F2NO4 — CID 114226212

IUPAC5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)C1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO4/c13-12(14)4-3-7(5-12)10(16)15-6-8-1-2-9(19-8)11(17)18/h7-9H,1-6H2,(H,15,16)(H,17,18)
InChIKeyFNZWDMRTOXFQLF-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.17
Rot. Bonds4

About 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 114226212) has the molecular formula C12H17F2NO4 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID114226212
Molecular FormulaC12H17F2NO4
Molecular Weight277.27 g/mol
Exact Mass277.11
IUPAC Name5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)C1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO4/c13-12(14)4-3-7(5-12)10(16)15-6-8-1-2-9(19-8)11(17)18/h7-9H,1-6H2,(H,15,16)(H,17,18)
InChIKeyFNZWDMRTOXFQLF-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104855853
5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107437075
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(1-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244866
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 114226262
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid (CID 114226212) is 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid is O=C(NCC1CCC(C(=O)O)O1)C1CCC(F)(F)C1.
What is the InChIKey of 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is FNZWDMRTOXFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO4/c13-12(14)4-3-7(5-12)10(16)15-6-8-1-2-9(19-8)11(17)18/h7-9H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114226212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).