3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid

C9H17NO3 — CID 20719702

IUPAC3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(O)CC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-10-4-2-7(3-5-10)8(11)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyFKOGSOMGEYEZSI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds3

About 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid

3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 20719702) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID20719702
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCN1CCC(C(O)CC(=O)O)CC1
InChIInChI=1S/C9H17NO3/c1-10-4-2-7(3-5-10)8(11)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyFKOGSOMGEYEZSI-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid (CID 20719702) is 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid is CN1CCC(C(O)CC(=O)O)CC1.
What is the InChIKey of 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is FKOGSOMGEYEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-4-2-7(3-5-10)8(11)6-9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid?
3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 20719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).