3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid

C9H16FNO3 — CID 105457212

IUPAC3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid
SMILESCC(F)(CC(=O)O)CN1CCOCC1
InChIInChI=1S/C9H16FNO3/c1-9(10,6-8(12)13)7-11-2-4-14-5-3-11/h2-7H2,1H3,(H,12,13)
InChIKeyCPGXLIKJUYEOKG-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.52
Rot. Bonds4

About 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid

3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid (PubChem CID 105457212) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid
PubChem CID105457212
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid
SMILESCC(F)(CC(=O)O)CN1CCOCC1
InChIInChI=1S/C9H16FNO3/c1-9(10,6-8(12)13)7-11-2-4-14-5-3-11/h2-7H2,1H3,(H,12,13)
InChIKeyCPGXLIKJUYEOKG-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinebutanoic acid
CID 79872
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
Methyl 4-morpholin-4-ylbutanoate;hydrochloride
CID 45261344
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
Methyl 4-morpholinobutanoate
CID 44858
Ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate
CID 168857212
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 55177377
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 61490508
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 61601678
4-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 63126190

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid (CID 105457212) is 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid is CC(F)(CC(=O)O)CN1CCOCC1.
What is the InChIKey of 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid?
The InChIKey is CPGXLIKJUYEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(10,6-8(12)13)7-11-2-4-14-5-3-11/h2-7H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid?
3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid has a molecular weight of 205.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 105457212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).