2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid

C13H19F3N2O3 — CID 63719576

IUPAC2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(3-4-17-8-12)11(21)18-5-1-2-9(7-18)6-10(19)20/h9,17H,1-8H2,(H,19,20)
InChIKeyOMUQBDBYHXPISQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.24
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid

2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid (PubChem CID 63719576) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid
PubChem CID63719576
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(3-4-17-8-12)11(21)18-5-1-2-9(7-18)6-10(19)20/h9,17H,1-8H2,(H,19,20)
InChIKeyOMUQBDBYHXPISQ-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid (CID 63719576) is 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid?
The InChIKey is OMUQBDBYHXPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(3-4-17-8-12)11(21)18-5-1-2-9(7-18)6-10(19)20/h9,17H,1-8H2,(H,19,20).
What are the key properties of 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid?
2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 63719576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).