2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid

C10H16F3NO4 — CID 112737748

IUPAC2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4/c1-18-6-7(8(15)16)14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16)
InChIKeyNBPNETWPYIBKJQ-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.48
Rot. Bonds4

About 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid

2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid (PubChem CID 112737748) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid
PubChem CID112737748
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4/c1-18-6-7(8(15)16)14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16)
InChIKeyNBPNETWPYIBKJQ-UHFFFAOYSA-N
XLogP0.48
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid?
The IUPAC name of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid (CID 112737748) is 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid?
The canonical SMILES for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid is COCC(C(=O)O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid?
The InChIKey is NBPNETWPYIBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-18-6-7(8(15)16)14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid?
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid has a molecular weight of 271.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid is sourced from PubChem (CID 112737748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).