4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 106498493

IUPAC4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCN(CC2(O)CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO3/c1-10-4-7-14(8-10)9-13(17)5-2-11(3-6-13)12(15)16/h10-11,17H,2-9H2,1H3,(H,15,16)
InChIKeyRWAMRERPWSVYEK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.33
Rot. Bonds3

About 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498493) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID106498493
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCN(CC2(O)CCC(C(=O)O)CC2)C1
InChIInChI=1S/C13H23NO3/c1-10-4-7-14(8-10)9-13(17)5-2-11(3-6-13)12(15)16/h10-11,17H,2-9H2,1H3,(H,15,16)
InChIKeyRWAMRERPWSVYEK-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498528
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106670155
4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498407
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498556
4-hydroxy-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498880
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopropan-1-ol
CID 126995531
ethyl 4-[(3-ethylpyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498847
1-acetyl-4-[(1-hydroxycycloheptyl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132649094

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 106498493) is 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid is CC1CCN(CC2(O)CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RWAMRERPWSVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-4-7-14(8-10)9-13(17)5-2-11(3-6-13)12(15)16/h10-11,17H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).