2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid

C11H21NO3 — CID 162750163

IUPAC2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
SMILESCC(C)N1CCC[C@H](COCC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-9(2)12-5-3-4-10(6-12)7-15-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyQQOXRZMNHICQSM-JTQLQIEISA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid

2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid (PubChem CID 162750163) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
PubChem CID162750163
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
SMILESCC(C)N1CCC[C@H](COCC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-9(2)12-5-3-4-10(6-12)7-15-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyQQOXRZMNHICQSM-JTQLQIEISA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
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(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
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(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
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2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
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2-[[1-(trifluoromethyl)piperidin-3-yl]methoxy]acetic acid
CID 71649748
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
methyl 3-[(1-propan-2-ylpiperidin-3-yl)methyl]but-3-enoate
CID 117268756
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
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2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid (CID 162750163) is 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid is CC(C)N1CCC[C@H](COCC(=O)O)C1.
What is the InChIKey of 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid?
The InChIKey is QQOXRZMNHICQSM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12-5-3-4-10(6-12)7-15-8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid?
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 162750163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).