2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 170367947

IUPAC2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESCN1CCC[C@H]1COC1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-14-8-4-5-10(14)9-17-12-7-3-2-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m0/s1
InChIKeyGQMPQFRDQSZUJB-UNXYVOJBSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (PubChem CID 170367947) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
PubChem CID170367947
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESCN1CCC[C@H]1COC1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-14-8-4-5-10(14)9-17-12-7-3-2-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m0/s1
InChIKeyGQMPQFRDQSZUJB-UNXYVOJBSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (CID 170367947) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is CN1CCC[C@H]1COC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is GQMPQFRDQSZUJB-UNXYVOJBSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14-8-4-5-10(14)9-17-12-7-3-2-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)/t10-,11?,12?/m0/s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 170367947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).