3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid

C9H17NO3 — CID 97184533

IUPAC3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid
SMILESCO[C@@H]1CNC[C@H](CCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-8-4-7(5-10-6-8)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyALLFEUSEIXVTKM-SFYZADRCSA-N
MW187.24 g/mol
LogP0.48
Rot. Bonds4

About 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid

3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid (PubChem CID 97184533) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid
PubChem CID97184533
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid
SMILESCO[C@@H]1CNC[C@H](CCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-8-4-7(5-10-6-8)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyALLFEUSEIXVTKM-SFYZADRCSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid (CID 97184533) is 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid is CO[C@@H]1CNC[C@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid?
The InChIKey is ALLFEUSEIXVTKM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-8-4-7(5-10-6-8)2-3-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid?
3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid is sourced from PubChem (CID 97184533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).