4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid

C9H16FNO3 — CID 81113637

IUPAC4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCF)C1COCC1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyTXTZZXLIBIEDMB-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.38
Rot. Bonds5

About 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid

4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 81113637) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID81113637
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCF)C1COCC1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyTXTZZXLIBIEDMB-UHFFFAOYSA-N
XLogP0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-[ethyl(methyl)amino]-4-fluorooxolane-3-carboxylic acid
CID 70639649
4-[2,2-Difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235189
4-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]oxolane-3-carboxylic acid
CID 66236439
4-[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]oxolane-3-carboxylic acid
CID 66236607
4-[Methyl(2,2,2-trifluoroethyl)amino]oxolane-3-carboxylic acid
CID 66236643
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]oxolane-3-carboxylic acid
CID 66236802
4-[Methyl-[2-(trifluoromethoxy)ethyl]amino]oxolane-3-carboxylic acid
CID 66236812
4-[Methyl(3,3,3-trifluoropropyl)amino]oxolane-3-carboxylic acid
CID 66237232
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66237781
4-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]oxolane-3-carboxylic acid
CID 66237954
4-[Methyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66238167
4-[Methyl-(2,2,2-trifluoroacetyl)amino]oxolane-3-carboxylic acid
CID 66238168

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid (CID 81113637) is 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid is CN(CCCF)C1COCC1C(=O)O.
What is the InChIKey of 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is TXTZZXLIBIEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-11(4-2-3-10)8-6-14-5-7(8)9(12)13/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid?
4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoropropyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81113637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).