3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid

C10H19NO3 — CID 170367402

IUPAC3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
SMILESCN1CCCC[C@H]1COCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-11-6-3-2-4-9(11)8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyKKUWGMIPARNTCA-VIFPVBQESA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid

3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid (PubChem CID 170367402) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
PubChem CID170367402
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
SMILESCN1CCCC[C@H]1COCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-11-6-3-2-4-9(11)8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyKKUWGMIPARNTCA-VIFPVBQESA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
CID 83819579
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129323089
3-[[(2S,3S)-1,3-dimethylpyrrolidin-2-yl]methoxy]propanoic acid
CID 170367841
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 174164491
4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid?
The IUPAC name of 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid (CID 170367402) is 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid.
What is the SMILES notation for 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid?
The canonical SMILES for 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid is CN1CCCC[C@H]1COCCC(=O)O.
What is the InChIKey of 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid?
The InChIKey is KKUWGMIPARNTCA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-6-3-2-4-9(11)8-14-7-5-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid?
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid is sourced from PubChem (CID 170367402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).