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

C15H27NO3 — CID 174164523

IUPAC2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESCC(C)N1CCC[C@H]1COC1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-11(2)16-9-5-6-12(16)10-19-14-8-4-3-7-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t12-,13?,14?/m0/s1
InChIKeyHKEDEZNGXGTIQK-HSBZDZAISA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

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

2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (PubChem CID 174164523) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
PubChem CID174164523
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESCC(C)N1CCC[C@H]1COC1CCCCC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-11(2)16-9-5-6-12(16)10-19-14-8-4-3-7-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t12-,13?,14?/m0/s1
InChIKeyHKEDEZNGXGTIQK-HSBZDZAISA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (CID 174164523) is 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is CC(C)N1CCC[C@H]1COC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is HKEDEZNGXGTIQK-HSBZDZAISA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)16-9-5-6-12(16)10-19-14-8-4-3-7-13(14)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t12-,13?,14?/m0/s1.
What are the key properties of 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174164523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).