4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid

C10H14F3NO3 — CID 129365559

IUPAC4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)7-2-1-5-14(6-7)8(15)3-4-9(16)17/h7H,1-6H2,(H,16,17)/t7-/m1/s1
InChIKeyBPMXUJHCIWXPAJ-SSDOTTSWSA-N
MW253.22 g/mol
LogP1.65
Rot. Bonds3

About 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid

4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid (PubChem CID 129365559) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid
PubChem CID129365559
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)7-2-1-5-14(6-7)8(15)3-4-9(16)17/h7H,1-6H2,(H,16,17)/t7-/m1/s1
InChIKeyBPMXUJHCIWXPAJ-SSDOTTSWSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid (CID 129365559) is 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid?
The InChIKey is BPMXUJHCIWXPAJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)7-2-1-5-14(6-7)8(15)3-4-9(16)17/h7H,1-6H2,(H,16,17)/t7-/m1/s1.
What are the key properties of 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid?
4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid has a molecular weight of 253.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 129365559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).