2-(1-methylpiperidin-3-yl)oxypropanoic acid

C9H17NO3 — CID 23008476

IUPAC2-(1-methylpiperidin-3-yl)oxypropanoic acid
SMILESCC(OC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(9(11)12)13-8-4-3-5-10(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGQYERDKINVZII-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)oxypropanoic acid

2-(1-methylpiperidin-3-yl)oxypropanoic acid (PubChem CID 23008476) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)oxypropanoic acid
PubChem CID23008476
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(1-methylpiperidin-3-yl)oxypropanoic acid
SMILESCC(OC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(9(11)12)13-8-4-3-5-10(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAGQYERDKINVZII-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)oxypropanoic acid?
The IUPAC name of 2-(1-methylpiperidin-3-yl)oxypropanoic acid (CID 23008476) is 2-(1-methylpiperidin-3-yl)oxypropanoic acid.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)oxypropanoic acid?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)oxypropanoic acid is CC(OC1CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)oxypropanoic acid?
The InChIKey is AGQYERDKINVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(9(11)12)13-8-4-3-5-10(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(1-methylpiperidin-3-yl)oxypropanoic acid?
2-(1-methylpiperidin-3-yl)oxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)oxypropanoic acid is sourced from PubChem (CID 23008476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).