4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid

C10H16FNO3 — CID 129498261

IUPAC4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](CF)C1
InChIInChI=1S/C10H16FNO3/c11-6-8-2-1-5-12(7-8)9(13)3-4-10(14)15/h8H,1-7H2,(H,14,15)/t8-/m0/s1
InChIKeyPGDHIQZNJQROJU-QMMMGPOBSA-N
MW217.24 g/mol
LogP1.06
Rot. Bonds4

About 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 129498261) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID129498261
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC[C@@H](CF)C1
InChIInChI=1S/C10H16FNO3/c11-6-8-2-1-5-12(7-8)9(13)3-4-10(14)15/h8H,1-7H2,(H,14,15)/t8-/m0/s1
InChIKeyPGDHIQZNJQROJU-QMMMGPOBSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 129498261) is 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC[C@@H](CF)C1.
What is the InChIKey of 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is PGDHIQZNJQROJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16FNO3/c11-6-8-2-1-5-12(7-8)9(13)3-4-10(14)15/h8H,1-7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 217.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129498261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).