3-(1-methylpiperidin-4-yl)oxypropanoic acid

C9H17NO3 — CID 57097192

IUPAC3-(1-methylpiperidin-4-yl)oxypropanoic acid
SMILESCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-10-5-2-8(3-6-10)13-7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNSUQLISXZTYDCR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 3-(1-methylpiperidin-4-yl)oxypropanoic acid

3-(1-methylpiperidin-4-yl)oxypropanoic acid (PubChem CID 57097192) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxypropanoic acid
PubChem CID57097192
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(1-methylpiperidin-4-yl)oxypropanoic acid
SMILESCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-10-5-2-8(3-6-10)13-7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNSUQLISXZTYDCR-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-(1-methylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxypropanoic acid (CID 57097192) is 3-(1-methylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxypropanoic acid is CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is NSUQLISXZTYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-5-2-8(3-6-10)13-7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(1-methylpiperidin-4-yl)oxypropanoic acid?
3-(1-methylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 57097192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).