3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

C11H19NO3 — CID 62271543

IUPAC3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCCN1CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H19NO3/c1-9-3-2-5-12(9)7-11(10(13)14)4-6-15-8-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOLPCUJJVLLEDAA-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds3

About 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 62271543) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID62271543
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCCN1CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H19NO3/c1-9-3-2-5-12(9)7-11(10(13)14)4-6-15-8-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOLPCUJJVLLEDAA-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylazetidin-1-yl)methyl]oxane-4-carboxylic acid
CID 115440671
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxane-4-carboxylic acid
CID 62888173
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754
3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 102967452
4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
CID 83061533
3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxolane-3-carboxylic acid
CID 81200543
3-[(3-methylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63747250
3-ethyloxolane-3-carboxylic acid
CID 62740785
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62390573
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 62271543) is 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is CC1CCCN1CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is OLPCUJJVLLEDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-3-2-5-12(9)7-11(10(13)14)4-6-15-8-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62271543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).