2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid

C9H17NO3 — CID 92669710

IUPAC2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
SMILESCN1CCCC[C@@H]1COCC(=O)O
InChIInChI=1S/C9H17NO3/c1-10-5-3-2-4-8(10)6-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeySDRRESHOLYVGFP-MRVPVSSYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid

2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid (PubChem CID 92669710) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
PubChem CID92669710
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
SMILESCN1CCCC[C@@H]1COCC(=O)O
InChIInChI=1S/C9H17NO3/c1-10-5-3-2-4-8(10)6-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeySDRRESHOLYVGFP-MRVPVSSYSA-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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Related Compounds

3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
CID 83817784
(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 174164491
(2R)-2-(disulfanyloxymethyl)-1-methylpiperidine
CID 170053124
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129323089
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid (CID 92669710) is 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid is CN1CCCC[C@@H]1COCC(=O)O.
What is the InChIKey of 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid?
The InChIKey is SDRRESHOLYVGFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-5-3-2-4-8(10)6-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid?
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic 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 2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 92669710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).