4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 121201487

IUPAC4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESCOCC1CCCN1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-17-9-12-3-2-8-14(12)11-6-4-10(5-7-11)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyUZVHLNXQUNMYNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 121201487) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID121201487
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESCOCC1CCCN1C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-17-9-12-3-2-8-14(12)11-6-4-10(5-7-11)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyUZVHLNXQUNMYNI-UHFFFAOYSA-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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Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethyl N,N-dimethylcarbamate;O-methylhydroxylamine
CID 168906581
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 155944065
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethoxy)acetate
CID 169000507
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid (CID 121201487) is 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid is COCC1CCCN1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is UZVHLNXQUNMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-9-12-3-2-8-14(12)11-6-4-10(5-7-11)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
4-[2-(methoxymethyl)pyrrolidin-1-yl]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 4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 121201487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).